1-(prop-2-enoxymethyl)pyrrolidin-2-one

C8H13NO2 — CID 57058057

IUPAC1-(prop-2-enoxymethyl)pyrrolidin-2-one
SMILESC=CCOCN1CCCC1=O
InChIInChI=1S/C8H13NO2/c1-2-6-11-7-9-5-3-4-8(9)10/h2H,1,3-7H2
InChIKeySCFDTIKFLROXAE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds4

About 1-(prop-2-enoxymethyl)pyrrolidin-2-one

1-(prop-2-enoxymethyl)pyrrolidin-2-one (PubChem CID 57058057) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)pyrrolidin-2-one
PubChem CID57058057
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(prop-2-enoxymethyl)pyrrolidin-2-one
SMILESC=CCOCN1CCCC1=O
InChIInChI=1S/C8H13NO2/c1-2-6-11-7-9-5-3-4-8(9)10/h2H,1,3-7H2
InChIKeySCFDTIKFLROXAE-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(prop-2-enoxymethyl)pyrrolidin-2-one 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 1-(prop-2-enoxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(prop-2-enoxymethyl)pyrrolidin-2-one (CID 57058057) is 1-(prop-2-enoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(prop-2-enoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(prop-2-enoxymethyl)pyrrolidin-2-one is C=CCOCN1CCCC1=O.
What is the InChIKey of 1-(prop-2-enoxymethyl)pyrrolidin-2-one?
The InChIKey is SCFDTIKFLROXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6-11-7-9-5-3-4-8(9)10/h2H,1,3-7H2.
What are the key properties of 1-(prop-2-enoxymethyl)pyrrolidin-2-one?
1-(prop-2-enoxymethyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 57058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).