2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal

C10H15NO3 — CID 89257379

IUPAC2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal
SMILESC=C(C=O)C[C@@H]1CC(=O)N([C@H](C)O)C1
InChIInChI=1S/C10H15NO3/c1-7(6-12)3-9-4-10(14)11(5-9)8(2)13/h6,8-9,13H,1,3-5H2,2H3/t8-,9+/m0/s1
InChIKeyFKNJUTQRCJEUDG-DTWKUNHWSA-N
MW197.23 g/mol
LogP0.32
Rot. Bonds4

About 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal

2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal (PubChem CID 89257379) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal.

Molecular Properties

Compound Name2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal
PubChem CID89257379
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal
SMILESC=C(C=O)C[C@@H]1CC(=O)N([C@H](C)O)C1
InChIInChI=1S/C10H15NO3/c1-7(6-12)3-9-4-10(14)11(5-9)8(2)13/h6,8-9,13H,1,3-5H2,2H3/t8-,9+/m0/s1
InChIKeyFKNJUTQRCJEUDG-DTWKUNHWSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal?
The IUPAC name of 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal (CID 89257379) is 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal.
What is the SMILES notation for 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal?
The canonical SMILES for 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal is C=C(C=O)C[C@@H]1CC(=O)N([C@H](C)O)C1.
What is the InChIKey of 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal?
The InChIKey is FKNJUTQRCJEUDG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(6-12)3-9-4-10(14)11(5-9)8(2)13/h6,8-9,13H,1,3-5H2,2H3/t8-,9+/m0/s1.
What are the key properties of 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal?
2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal has a molecular weight of 197.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[(1S)-1-hydroxyethyl]-5-oxopyrrolidin-3-yl]methyl]prop-2-enal is sourced from PubChem (CID 89257379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).