1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile

C9H15NO — CID 45095912

IUPAC1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
SMILESCC(C)C1CCCC1(O)C#N
InChIInChI=1S/C9H15NO/c1-7(2)8-4-3-5-9(8,11)6-10/h7-8,11H,3-5H2,1-2H3
InChIKeyAKMCUGSGQVTYDN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.70
Rot. Bonds1

About 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile

1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile (PubChem CID 45095912) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
PubChem CID45095912
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
SMILESCC(C)C1CCCC1(O)C#N
InChIInChI=1S/C9H15NO/c1-7(2)8-4-3-5-9(8,11)6-10/h7-8,11H,3-5H2,1-2H3
InChIKeyAKMCUGSGQVTYDN-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
cis-propan-2-yl (1R,2R)-2-cyano-2-hydroxycyclopentane-1-carboxylate
CID 45098862
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
7-propan-2-ylspiro[2.4]heptane
CID 154526076
trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
CID 71415303
3-hydroxy-2-propan-2-ylpyrrolidine-3-carbonitrile
CID 166494922
1-hydroxy-2-methoxycyclohexane-1-carbonitrile
CID 86013365
1-(1-hydroxy-4-propan-2-ylcyclohexyl)cyclobutane-1-carbonitrile
CID 79129220
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
1-(3-cyclopropyl-1-hydroxycyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79123575
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
CID 103565491

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile?
The IUPAC name of 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile (CID 45095912) is 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile is CC(C)C1CCCC1(O)C#N.
What is the InChIKey of 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile?
The InChIKey is AKMCUGSGQVTYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-4-3-5-9(8,11)6-10/h7-8,11H,3-5H2,1-2H3.
What are the key properties of 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile?
1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 45095912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).