2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile

C12H19NO — CID 85176518

IUPAC2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile
SMILESCC(C)=CCCC(C)(O)C1CC1C#N
InChIInChI=1S/C12H19NO/c1-9(2)5-4-6-12(3,14)11-7-10(11)8-13/h5,10-11,14H,4,6-7H2,1-3H3
InChIKeyDMTCLYSYYVKVKW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile

2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile (PubChem CID 85176518) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile
PubChem CID85176518
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile
SMILESCC(C)=CCCC(C)(O)C1CC1C#N
InChIInChI=1S/C12H19NO/c1-9(2)5-4-6-12(3,14)11-7-10(11)8-13/h5,10-11,14H,4,6-7H2,1-3H3
InChIKeyDMTCLYSYYVKVKW-UHFFFAOYSA-N
XLogP2.64
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol
CID 15480760
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-
CID 10214431
7-Nonenenitrile, 4-hydroxy-4,8-dimethyl-, (4S)-
CID 11672773
2-(1-Hydroxy-4-methylcyclohex-3-en-1-yl)-2-methylpropanenitrile
CID 13557854
(4R)-4-Hydroxy-4,8-dimethylnon-7-enenitrile
CID 71443357
(E)-7-hydroxy-2,7-dimethylnon-2-enenitrile
CID 88773351
3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbonitrile
CID 117703290
4-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbonitrile
CID 117703361
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)propanenitrile
CID 124113451
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)hexanenitrile
CID 124113455
2-(1-Hydroxy-3,5,5-trimethylcyclohex-2-en-1-yl)butanenitrile
CID 134560305
2-[(1S,2S,4E)-1-hydroxy-2-methylcyclooct-4-en-1-yl]acetonitrile
CID 170291488

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile (CID 85176518) is 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile is CC(C)=CCCC(C)(O)C1CC1C#N.
What is the InChIKey of 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is DMTCLYSYYVKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)5-4-6-12(3,14)11-7-10(11)8-13/h5,10-11,14H,4,6-7H2,1-3H3.
What are the key properties of 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile?
2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-methylhept-5-en-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 85176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).