1-hydroxycyclohexane-1-carbonitrile;methane

C8H15NO — CID 164543008

IUPAC1-hydroxycyclohexane-1-carbonitrile;methane
SMILESC.N#CC1(O)CCCCC1
InChIInChI=1S/C7H11NO.CH4/c8-6-7(9)4-2-1-3-5-7;/h9H,1-5H2;1H4
InChIKeyYTYLBTJDJGZPCL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds

About 1-hydroxycyclohexane-1-carbonitrile;methane

1-hydroxycyclohexane-1-carbonitrile;methane (PubChem CID 164543008) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-hydroxycyclohexane-1-carbonitrile;methane.

Molecular Properties

Compound Name1-hydroxycyclohexane-1-carbonitrile;methane
PubChem CID164543008
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-hydroxycyclohexane-1-carbonitrile;methane
SMILESC.N#CC1(O)CCCCC1
InChIInChI=1S/C7H11NO.CH4/c8-6-7(9)4-2-1-3-5-7;/h9H,1-5H2;1H4
InChIKeyYTYLBTJDJGZPCL-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
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

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1-ethynylcyclohexan-1-ol;platinum(2+)
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1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
7-hydroxyspiro[3.5]nona-1,2-diene-7-carbonitrile
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1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-bromocycloheptane-1-carbonitrile
CID 83086102
1-bromocyclooctane-1-carbonitrile
CID 83086716
2-hydroxy-1,2-dimethylcyclohexane-1-carbonitrile
CID 12537000
1-buta-1,3-diynylcyclohexan-1-ol
CID 12590159
1,5-bis(1-hydroxycyclohexyl)penta-1,4-diyn-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxycyclohexane-1-carbonitrile;methane?
The IUPAC name of 1-hydroxycyclohexane-1-carbonitrile;methane (CID 164543008) is 1-hydroxycyclohexane-1-carbonitrile;methane.
What is the SMILES notation for 1-hydroxycyclohexane-1-carbonitrile;methane?
The canonical SMILES for 1-hydroxycyclohexane-1-carbonitrile;methane is C.N#CC1(O)CCCCC1.
What is the InChIKey of 1-hydroxycyclohexane-1-carbonitrile;methane?
The InChIKey is YTYLBTJDJGZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.CH4/c8-6-7(9)4-2-1-3-5-7;/h9H,1-5H2;1H4.
What are the key properties of 1-hydroxycyclohexane-1-carbonitrile;methane?
1-hydroxycyclohexane-1-carbonitrile;methane has a molecular weight of 141.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxycyclohexane-1-carbonitrile;methane is sourced from PubChem (CID 164543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).