methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione

C17H24N2O7 — CID 158709279

IUPACmethanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C=CC1=O.CO.COC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4.C7H9NO2.CH4O/c1-14-9(13)3-2-6-10-7(11)4-5-8(10)12;1-2-5-8-6(9)3-4-7(8)10;1-2/h4-5H,2-3,6H2,1H3;3-4H,2,5H2,1H3;2H,1H3
InChIKeyIINATROGUALTLI-UHFFFAOYSA-N
MW368.39 g/mol
LogP-0.21
Rot. Bonds6

About methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione

methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione (PubChem CID 158709279) has the molecular formula C17H24N2O7 and a molecular weight of 368.39 g/mol. Its IUPAC name is methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione
PubChem CID158709279
Molecular FormulaC17H24N2O7
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Namemethanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C=CC1=O.CO.COC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4.C7H9NO2.CH4O/c1-14-9(13)3-2-6-10-7(11)4-5-8(10)12;1-2-5-8-6(9)3-4-7(8)10;1-2/h4-5H,2-3,6H2,1H3;3-4H,2,5H2,1H3;2H,1H3
InChIKeyIINATROGUALTLI-UHFFFAOYSA-N
XLogP-0.21
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-Maleimidobutyric Acid
CID 3404904
Methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoate
CID 11629774
N-Maleoyl-5-NH2butyric acid,Et ester
CID 23274068
Butyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69336081
Propyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69337299
4-[Bis[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 77106255
4-(2,5-Dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 87396636
4-[4-(2,5-Dioxopyrrol-1-yl)-3-methylbutanoyl]oxybutyl 4-(2,5-dioxopyrrol-1-yl)-3-methylbutanoate
CID 89505456
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;methyl carbamate;thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 90758217
3-Hydroxybutyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 140602018
4-(2,5-Dioxopyrrol-1-yl)butanoic acid;3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 157083856
CID 157679945
CID 157679945

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione?
The IUPAC name of methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione (CID 158709279) is methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione.
What is the SMILES notation for methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione?
The canonical SMILES for methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione is CCCN1C(=O)C=CC1=O.CO.COC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione?
The InChIKey is IINATROGUALTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.C7H9NO2.CH4O/c1-14-9(13)3-2-6-10-7(11)4-5-8(10)12;1-2-5-8-6(9)3-4-7(8)10;1-2/h4-5H,2-3,6H2,1H3;3-4H,2,5H2,1H3;2H,1H3.
What are the key properties of methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione?
methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione has a molecular weight of 368.39 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 4-(2,5-dioxopyrrol-1-yl)butanoate;1-propylpyrrole-2,5-dione is sourced from PubChem (CID 158709279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).