N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide

C14H17NO2 — CID 113258888

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CC=CC1
InChIInChI=1S/C14H17NO2/c16-10-13(11-6-2-1-3-7-11)15-14(17)12-8-4-5-9-12/h1-7,12-13,16H,8-10H2,(H,15,17)/t13-/m0/s1
InChIKeyOQOPDFYZKKZGSD-ZDUSSCGKSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide (PubChem CID 113258888) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
PubChem CID113258888
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1CC=CC1
InChIInChI=1S/C14H17NO2/c16-10-13(11-6-2-1-3-7-11)15-14(17)12-8-4-5-9-12/h1-7,12-13,16H,8-10H2,(H,15,17)/t13-/m0/s1
InChIKeyOQOPDFYZKKZGSD-ZDUSSCGKSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
(2R,5S)-5-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 107862091
5-[(2-hydroxy-1-phenylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688505
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide (CID 113258888) is N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide is O=C(N[C@@H](CO)c1ccccc1)C1CC=CC1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is OQOPDFYZKKZGSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NO2/c16-10-13(11-6-2-1-3-7-11)15-14(17)12-8-4-5-9-12/h1-7,12-13,16H,8-10H2,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 113258888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).