(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile

C10H15NO2 — CID 134859562

IUPAC(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile
SMILESCC(C)[C@H]1CC(O)(C#N)C(=O)C1C
InChIInChI=1S/C10H15NO2/c1-6(2)8-4-10(13,5-11)9(12)7(8)3/h6-8,13H,4H2,1-3H3/t7?,8-,10?/m1/s1
InChIKeyLRFNVXNZCYQEBH-CCNFQMFXSA-N
MW181.23 g/mol
LogP1.12
Rot. Bonds1

About (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile

(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile (PubChem CID 134859562) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile
PubChem CID134859562
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile
SMILESCC(C)[C@H]1CC(O)(C#N)C(=O)C1C
InChIInChI=1S/C10H15NO2/c1-6(2)8-4-10(13,5-11)9(12)7(8)3/h6-8,13H,4H2,1-3H3/t7?,8-,10?/m1/s1
InChIKeyLRFNVXNZCYQEBH-CCNFQMFXSA-N
XLogP1.12
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxy-4-oxocyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128577
(1R,3aS,4R,6aS)-3-hydroxy-3a,6a-dimethyl-6-oxo-1,2,4,5-tetrahydropentalene-1,3,4-tricarbonitrile
CID 132648228
1-cyano-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016724
2-(1-hydroxy-3-methylcyclobutyl)propanenitrile
CID 103565518
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
CID 103565491
(1S,3R,6R,7S,9R)-3,6-dimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decane-2,5-dione
CID 10681215
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
CID 25187162
3-hydroxy-4-propan-2-yloxolan-2-one
CID 130147682
(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582304
1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
CID 79133151
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531

Frequently Asked Questions

What is the IUPAC name of (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile?
The IUPAC name of (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile (CID 134859562) is (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile?
The canonical SMILES for (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile is CC(C)[C@H]1CC(O)(C#N)C(=O)C1C.
What is the InChIKey of (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile?
The InChIKey is LRFNVXNZCYQEBH-CCNFQMFXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)8-4-10(13,5-11)9(12)7(8)3/h6-8,13H,4H2,1-3H3/t7?,8-,10?/m1/s1.
What are the key properties of (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile?
(4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-hydroxy-3-methyl-2-oxo-4-propan-2-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 134859562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).