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

C15H19NO2 — CID 103751614

IUPAC(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCC1CO
InChIInChI=1S/C15H19NO2/c17-11-13-7-4-8-14(13)16-15(18)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,17H,4,7-8,11H2,(H,16,18)/b10-9+
InChIKeyRZIHRRUSTZDYIZ-MDZDMXLPSA-N
MW245.32 g/mol
LogP1.98
Rot. Bonds4

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

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide (PubChem CID 103751614) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
PubChem CID103751614
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCC1CO
InChIInChI=1S/C15H19NO2/c17-11-13-7-4-8-14(13)16-15(18)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,17H,4,7-8,11H2,(H,16,18)/b10-9+
InChIKeyRZIHRRUSTZDYIZ-MDZDMXLPSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.98
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-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 106364399
(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
CID 14965454

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide (CID 103751614) is (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCCC1CO.
What is the InChIKey of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide?
The InChIKey is RZIHRRUSTZDYIZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO2/c17-11-13-7-4-8-14(13)16-15(18)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14,17H,4,7-8,11H2,(H,16,18)/b10-9+.
What are the key properties of (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide?
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 103751614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).