1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one

C8H13NO2 — CID 174727761

IUPAC1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one
SMILESC=CN1CCC(=O)C1C(C)O
InChIInChI=1S/C8H13NO2/c1-3-9-5-4-7(11)8(9)6(2)10/h3,6,8,10H,1,4-5H2,2H3
InChIKeyMDKLSQDUSPQFGR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.15
Rot. Bonds2

About 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one

1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one (PubChem CID 174727761) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one
PubChem CID174727761
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one
SMILESC=CN1CCC(=O)C1C(C)O
InChIInChI=1S/C8H13NO2/c1-3-9-5-4-7(11)8(9)6(2)10/h3,6,8,10H,1,4-5H2,2H3
InChIKeyMDKLSQDUSPQFGR-UHFFFAOYSA-N
XLogP0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one?
The IUPAC name of 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one (CID 174727761) is 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one?
The canonical SMILES for 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one is C=CN1CCC(=O)C1C(C)O.
What is the InChIKey of 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one?
The InChIKey is MDKLSQDUSPQFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-5-4-7(11)8(9)6(2)10/h3,6,8,10H,1,4-5H2,2H3.
What are the key properties of 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one?
1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one is sourced from PubChem (CID 174727761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).