1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione

C87H134N8O32S — CID 161065962

IUPAC1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione
SMILESC=C(O)CCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(C)=O)C1.CC(=O)CCCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O.CCCOCCN1C(=O)C=CC1=O.CCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H37NO10.C21H37NO9.C15H21N3O4S.C11H15NO3.C9H11NO3.C9H13NO3/c1-20(24)4-6-27-8-10-29-12-14-31-16-18-33-19-17-32-15-13-30-11-9-28-7-5-23-21(25)2-3-22(23)26;1-2-6-25-8-10-27-12-14-29-16-18-31-19-17-30-15-13-28-11-9-26-7-5-22-20(23)3-4-21(22)24;1-4-13(20)16-9-17(14(21)5-2)11-18(10-16)15(22)6-7-23-8-12(3)19;1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-7(11)3-2-6-10-8(12)4-5-9(10)13;1-2-6-13-7-5-10-8(11)3-4-9(10)12/h2-3,24H,1,4-19H2;3-4H,2,5-19H2,1H3;4-5H,1-2,6-11H2,3H3;6-7H,2-5,8H2,1H3;4-5H,2-3,6H2,1H3;3-4H,2,5-7H2,1H3
InChIKeyUEAHOCVILZXGQZ-UHFFFAOYSA-N
MW1836.12 g/mol
LogP3.05
Rot. Bonds69

About 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione

1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione (PubChem CID 161065962) has the molecular formula C87H134N8O32S and a molecular weight of 1836.12 g/mol. Its IUPAC name is 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione
PubChem CID161065962
Molecular FormulaC87H134N8O32S
Molecular Weight1836.12 g/mol
Exact Mass1834.88
IUPAC Name1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione
SMILESC=C(O)CCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(C)=O)C1.CC(=O)CCCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O.CCCOCCN1C(=O)C=CC1=O.CCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C22H37NO10.C21H37NO9.C15H21N3O4S.C11H15NO3.C9H11NO3.C9H13NO3/c1-20(24)4-6-27-8-10-29-12-14-31-16-18-33-19-17-32-15-13-30-11-9-28-7-5-23-21(25)2-3-22(23)26;1-2-6-25-8-10-27-12-14-29-16-18-31-19-17-30-15-13-28-11-9-26-7-5-22-20(23)3-4-21(22)24;1-4-13(20)16-9-17(14(21)5-2)11-18(10-16)15(22)6-7-23-8-12(3)19;1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-7(11)3-2-6-10-8(12)4-5-9(10)13;1-2-6-13-7-5-10-8(11)3-4-9(10)12/h2-3,24H,1,4-19H2;3-4H,2,5-19H2,1H3;4-5H,1-2,6-11H2,3H3;6-7H,2-5,8H2,1H3;4-5H,2-3,6H2,1H3;3-4H,2,5-7H2,1H3
InChIKeyUEAHOCVILZXGQZ-UHFFFAOYSA-N
XLogP3.05
TPSA457.72 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds69
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001836.12
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[[2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171479321
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171850558
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
(2S,3S)-2,3-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-N,N'-bis[2-[2-[2-[2-[3-oxo-3-[2-[2-[2-[2-[3-oxo-3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]butanediamide
CID 175923577
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,28-dioxononacosoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 123169604
1-[4-oxo-4-(4-pentylpiperazin-1-yl)butyl]pyrrole-2,5-dione
CID 170127694
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-ethylpropanamide
CID 144940675
N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
CID 134416223
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperazine-1-carbaldehyde
CID 144703044
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione (CID 161065962) is 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione is C=C(O)CCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(C)=O)C1.CC(=O)CCCCCN1C(=O)C=CC1=O.CC(=O)CCCN1C(=O)C=CC1=O.CCCOCCN1C(=O)C=CC1=O.CCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione?
The InChIKey is UEAHOCVILZXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO10.C21H37NO9.C15H21N3O4S.C11H15NO3.C9H11NO3.C9H13NO3/c1-20(24)4-6-27-8-10-29-12-14-31-16-18-33-19-17-32-15-13-30-11-9-28-7-5-23-21(25)2-3-22(23)26;1-2-6-25-8-10-27-12-14-29-16-18-31-19-17-30-15-13-28-11-9-26-7-5-22-20(23)3-4-21(22)24;1-4-13(20)16-9-17(14(21)5-2)11-18(10-16)15(22)6-7-23-8-12(3)19;1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15;1-7(11)3-2-6-10-8(12)4-5-9(10)13;1-2-6-13-7-5-10-8(11)3-4-9(10)12/h2-3,24H,1,4-19H2;3-4H,2,5-19H2,1H3;4-5H,1-2,6-11H2,3H3;6-7H,2-5,8H2,1H3;4-5H,2-3,6H2,1H3;3-4H,2,5-7H2,1H3.
What are the key properties of 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione?
1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione has a molecular weight of 1836.12 g/mol, XLogP of 3.05, 69 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-oxopropylsulfanyl)propan-1-one;1-[2-[2-[2-[2-[2-[2-[2-(3-hydroxybut-3-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(6-oxoheptyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione;1-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;1-(2-propoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 161065962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).