(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone

C15H19NO3 — CID 67715458

IUPAC(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
SMILESC=CCc1c(O)ccc(C(=O)N2CCCC2)c1OC
InChIInChI=1S/C15H19NO3/c1-3-6-11-13(17)8-7-12(14(11)19-2)15(18)16-9-4-5-10-16/h3,7-8,17H,1,4-6,9-10H2,2H3
InChIKeyPABXHDYXLALNFV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds4

About (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone

(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 67715458) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID67715458
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
SMILESC=CCc1c(O)ccc(C(=O)N2CCCC2)c1OC
InChIInChI=1S/C15H19NO3/c1-3-6-11-13(17)8-7-12(14(11)19-2)15(18)16-9-4-5-10-16/h3,7-8,17H,1,4-6,9-10H2,2H3
InChIKeyPABXHDYXLALNFV-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone 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

azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
7-[3-[3-methoxy-2-prop-2-enyl-4-(pyrrolidine-1-carbonyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 15341810
(4-prop-2-enyl-1,3-benzodioxol-5-yl)-pyrrolidin-1-ylmethanone
CID 132965763
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
2-(piperidine-1-carbonyl)-5-prop-2-enylbenzamide
CID 68830106
piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
CID 139689165
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone (CID 67715458) is (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone is C=CCc1c(O)ccc(C(=O)N2CCCC2)c1OC.
What is the InChIKey of (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is PABXHDYXLALNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-6-11-13(17)8-7-12(14(11)19-2)15(18)16-9-4-5-10-16/h3,7-8,17H,1,4-6,9-10H2,2H3.
What are the key properties of (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone?
(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 67715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).