1-(2,2-dihydroxyethenyl)pyrrolidin-2-one

C6H9NO3 — CID 175238388

IUPAC1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
SMILESO=C1CCCN1C=C(O)O
InChIInChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h4,9-10H,1-3H2
InChIKeyHQSNTGNPPSBPSV-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.52
Rot. Bonds1

About 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one

1-(2,2-dihydroxyethenyl)pyrrolidin-2-one (PubChem CID 175238388) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
PubChem CID175238388
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
SMILESO=C1CCCN1C=C(O)O
InChIInChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h4,9-10H,1-3H2
InChIKeyHQSNTGNPPSBPSV-UHFFFAOYSA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-fluoroethene;1-(2-chloro-2-fluoroethenyl)pyrrolidin-2-one;methane
CID 162217428
1,1-dichloroethene;1-ethenylpyrrolidin-2-one
CID 19798230
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one
CID 69016110
1-ethenylpyrrolidin-2-one;2-methylprop-2-enoic acid
CID 22610349
acetic acid;1-(2-hydroperoxyethenyl)pyrrolidin-2-one
CID 173024590
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
methyl (2E)-2-[(2-oxopyrrolidin-1-yl)methylidene]butanoate
CID 122230502
1-(2,2-difluoroethenyl)azetidin-2-one
CID 143412253
1-(cycloheptylidenemethyl)pyrrolidin-2-one
CID 102490481
carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium
CID 21044567

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one (CID 175238388) is 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one is O=C1CCCN1C=C(O)O.
What is the InChIKey of 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one?
The InChIKey is HQSNTGNPPSBPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-2-1-3-7(5)4-6(9)10/h4,9-10H,1-3H2.
What are the key properties of 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one?
1-(2,2-dihydroxyethenyl)pyrrolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dihydroxyethenyl)pyrrolidin-2-one is sourced from PubChem (CID 175238388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).