(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

Related Compounds

phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
(3S)-1,4-dibenzoyl-3-prop-2-enylpiperazin-2-one
CID 146607210
1-benzoyl-3-methyl-4-methylidenepyrrolidine-3-carbaldehyde
CID 57327952
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
CID 11021598
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 120746295
(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
CID 11738375
(6S,7S,8R)-4-benzoyl-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
CID 71759877
(6S,7R,8R)-4-benzoyl-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
CID 71760804

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).