(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile

C8H13NO — CID 174082235

IUPAC(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1[C@@H](O)CCC1(C)C#N
InChIInChI=1S/C8H13NO/c1-6-7(10)3-4-8(6,2)5-9/h6-7,10H,3-4H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyBSJXAOALXYIZKS-WTIBDHCWSA-N
MW139.20 g/mol
LogP1.31
Rot. Bonds

About (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile

(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile (PubChem CID 174082235) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile
PubChem CID174082235
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile
SMILESCC1[C@@H](O)CCC1(C)C#N
InChIInChI=1S/C8H13NO/c1-6-7(10)3-4-8(6,2)5-9/h6-7,10H,3-4H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyBSJXAOALXYIZKS-WTIBDHCWSA-N
XLogP1.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile?
The IUPAC name of (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile (CID 174082235) is (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile?
The canonical SMILES for (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile is CC1[C@@H](O)CCC1(C)C#N.
What is the InChIKey of (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile?
The InChIKey is BSJXAOALXYIZKS-WTIBDHCWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7(10)3-4-8(6,2)5-9/h6-7,10H,3-4H2,1-2H3/t6?,7-,8?/m0/s1.
What are the key properties of (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile?
(3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1,2-dimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 174082235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).