5-(hydroxymethyl)cyclohexene-1-carbonitrile

C8H11NO — CID 123956742

IUPAC5-(hydroxymethyl)cyclohexene-1-carbonitrile
SMILESN#CC1=CCCC(CO)C1
InChIInChI=1S/C8H11NO/c9-5-7-2-1-3-8(4-7)6-10/h2,8,10H,1,3-4,6H2
InChIKeyXPFMGHJLXHUPMJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.23
Rot. Bonds1

About 5-(hydroxymethyl)cyclohexene-1-carbonitrile

5-(hydroxymethyl)cyclohexene-1-carbonitrile (PubChem CID 123956742) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-(hydroxymethyl)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)cyclohexene-1-carbonitrile
PubChem CID123956742
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-(hydroxymethyl)cyclohexene-1-carbonitrile
SMILESN#CC1=CCCC(CO)C1
InChIInChI=1S/C8H11NO/c9-5-7-2-1-3-8(4-7)6-10/h2,8,10H,1,3-4,6H2
InChIKeyXPFMGHJLXHUPMJ-UHFFFAOYSA-N
XLogP1.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)cyclohexene-1-carbonitrile?
The IUPAC name of 5-(hydroxymethyl)cyclohexene-1-carbonitrile (CID 123956742) is 5-(hydroxymethyl)cyclohexene-1-carbonitrile.
What is the SMILES notation for 5-(hydroxymethyl)cyclohexene-1-carbonitrile?
The canonical SMILES for 5-(hydroxymethyl)cyclohexene-1-carbonitrile is N#CC1=CCCC(CO)C1.
What is the InChIKey of 5-(hydroxymethyl)cyclohexene-1-carbonitrile?
The InChIKey is XPFMGHJLXHUPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-5-7-2-1-3-8(4-7)6-10/h2,8,10H,1,3-4,6H2.
What are the key properties of 5-(hydroxymethyl)cyclohexene-1-carbonitrile?
5-(hydroxymethyl)cyclohexene-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)cyclohexene-1-carbonitrile is sourced from PubChem (CID 123956742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).