1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide

C12H20N2O2 — CID 79250293

IUPAC1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)C(CO)NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)10(7-15)14-11(16)12(8-13)5-3-4-6-12/h9-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyRKNZWOGZDMGLCG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.20
Rot. Bonds4

About 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide

1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 79250293) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
PubChem CID79250293
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)C(CO)NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)10(7-15)14-11(16)12(8-13)5-3-4-6-12/h9-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyRKNZWOGZDMGLCG-UHFFFAOYSA-N
XLogP1.20
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135047340
CID 135047340
N-(4-hydroxy-5-methylhexan-3-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126815904
3-fluoro-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 130621288
1-cyano-N-(4-fluoro-1-hydroxybutan-2-yl)cyclopentane-1-carboxamide
CID 154865505
3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide
CID 23297962
3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 54009293
N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide
CID 59136325
N-(1-hydroxy-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 59169976
1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923402
1-N,1-N'-bis[(2R)-1-hydroxypropan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923806
1-N,1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923888
1-N,1-N'-bis[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66924022

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide (CID 79250293) is 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide is CC(C)C(CO)NC(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is RKNZWOGZDMGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)10(7-15)14-11(16)12(8-13)5-3-4-6-12/h9-10,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide?
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79250293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).