(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone

C15H17NO — CID 11128038

IUPAC(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone
SMILESC=CCC1CN(C(=O)c2ccccc2)CC1=C
InChIInChI=1S/C15H17NO/c1-3-7-14-11-16(10-12(14)2)15(17)13-8-5-4-6-9-13/h3-6,8-9,14H,1-2,7,10-11H2
InChIKeyBOXCRCOSCSVHCH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.89
Rot. Bonds3

About (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone

(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone (PubChem CID 11128038) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone
PubChem CID11128038
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone
SMILESC=CCC1CN(C(=O)c2ccccc2)CC1=C
InChIInChI=1S/C15H17NO/c1-3-7-14-11-16(10-12(14)2)15(17)13-8-5-4-6-9-13/h3-6,8-9,14H,1-2,7,10-11H2
InChIKeyBOXCRCOSCSVHCH-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone 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 (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone?
The IUPAC name of (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone (CID 11128038) is (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone is C=CCC1CN(C(=O)c2ccccc2)CC1=C.
What is the InChIKey of (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone?
The InChIKey is BOXCRCOSCSVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-7-14-11-16(10-12(14)2)15(17)13-8-5-4-6-9-13/h3-6,8-9,14H,1-2,7,10-11H2.
What are the key properties of (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone?
(3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone has a molecular weight of 227.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-4-prop-2-enylpyrrolidin-1-yl)-phenylmethanone is sourced from PubChem (CID 11128038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).