ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one

C15H28N2O — CID 169120648

IUPACethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/C)CN(C(C)C)C1=O.CC.CC
InChIInChI=1S/C11H16N2O.2C2H6/c1-5-9-10(12-6-2)7-13(8(3)4)11(9)14;2*1-2/h5-6,8H,1,7H2,2-4H3;2*1-2H3/b12-6+;;
InChIKeyZPAHPGLHPNPCKZ-HTFHIHPASA-N
MW252.40 g/mol
LogP3.82
Rot. Bonds3

About ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one

ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 169120648) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID169120648
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
SMILESC=CC1=C(/N=C/C)CN(C(C)C)C1=O.CC.CC
InChIInChI=1S/C11H16N2O.2C2H6/c1-5-9-10(12-6-2)7-13(8(3)4)11(9)14;2*1-2/h5-6,8H,1,7H2,2-4H3;2*1-2H3/b12-6+;;
InChIKeyZPAHPGLHPNPCKZ-HTFHIHPASA-N
XLogP3.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(ethylideneamino)-1-heptyl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
CID 135179679
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365593
Ethane;7-methyl-3,8-dihydropyrrolo[3,4-b]azepin-6-one
CID 142389284
1-[3-Ethenyl-4-(ethylideneamino)-2,5-dihydropyrrol-1-yl]ethanone
CID 143088905
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
5,6-bis(ethenyl)-1,3-dimethyl-2H-1,4-diazepin-7-one
CID 143848949
4-ethenyl-3-(methylideneamino)-1-propan-2-yl-2H-pyrrol-5-one
CID 144396741
4-ethenyl-3-(ethylideneamino)-1-methyl-2H-pyrrol-5-one
CID 145127025
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
Ethane;5-ethenyl-4-(ethylideneamino)-1-methyl-2,3-dihydropyridin-6-one
CID 145394193
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one (CID 169120648) is ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one is C=CC1=C(/N=C/C)CN(C(C)C)C1=O.CC.CC.
What is the InChIKey of ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is ZPAHPGLHPNPCKZ-HTFHIHPASA-N. The full InChI is InChI=1S/C11H16N2O.2C2H6/c1-5-9-10(12-6-2)7-13(8(3)4)11(9)14;2*1-2/h5-6,8H,1,7H2,2-4H3;2*1-2H3/b12-6+;;.
What are the key properties of ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one?
ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 252.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-3-(ethylideneamino)-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 169120648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).