(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide

C15H18ClNO2 — CID 103774226

IUPAC(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCCC1CO
InChIInChI=1S/C15H18ClNO2/c16-13-6-2-1-4-11(13)8-9-15(19)17-14-7-3-5-12(14)10-18/h1-2,4,6,8-9,12,14,18H,3,5,7,10H2,(H,17,19)/b9-8+
InChIKeyXIXFVRBGBGTDBO-CMDGGOBGSA-N
MW279.77 g/mol
LogP2.63
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide (PubChem CID 103774226) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
PubChem CID103774226
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCCC1CO
InChIInChI=1S/C15H18ClNO2/c16-13-6-2-1-4-11(13)8-9-15(19)17-14-7-3-5-12(14)10-18/h1-2,4,6,8-9,12,14,18H,3,5,7,10H2,(H,17,19)/b9-8+
InChIKeyXIXFVRBGBGTDBO-CMDGGOBGSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 106364399
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(2,3-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927217

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide (CID 103774226) is (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NC1CCCC1CO.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The InChIKey is XIXFVRBGBGTDBO-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-13-6-2-1-4-11(13)8-9-15(19)17-14-7-3-5-12(14)10-18/h1-2,4,6,8-9,12,14,18H,3,5,7,10H2,(H,17,19)/b9-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide has a molecular weight of 279.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 103774226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).