N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide

C10H17NO2 — CID 130668502

IUPACN-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
SMILESCC(O)C(C)NC(=O)C1=CCCC1
InChIInChI=1S/C10H17NO2/c1-7(8(2)12)11-10(13)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyHSJGNEKRJQICEG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.98
Rot. Bonds3

About N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide

N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide (PubChem CID 130668502) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
PubChem CID130668502
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
SMILESCC(O)C(C)NC(=O)C1=CCCC1
InChIInChI=1S/C10H17NO2/c1-7(8(2)12)11-10(13)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyHSJGNEKRJQICEG-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylcyclobutene-1-carboxamide
CID 126994401
N-[(2S)-2-(cyclopentene-1-carbonylamino)-3-methylbutyl]cyclopentene-1-carboxamide
CID 97226445
N-pent-1-yn-3-ylcyclopentene-1-carboxamide
CID 130920530
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
CID 24802882
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
CID 141406467
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
CID 62080493
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide?
The IUPAC name of N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide (CID 130668502) is N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide?
The canonical SMILES for N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide is CC(O)C(C)NC(=O)C1=CCCC1.
What is the InChIKey of N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide?
The InChIKey is HSJGNEKRJQICEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(8(2)12)11-10(13)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide?
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide is sourced from PubChem (CID 130668502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).