1-(cyclopropylmethyl)cyclohexane-1-carbonitrile

C11H17N — CID 126977193

IUPAC1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC2CC2)CCCCC1
InChIInChI=1S/C11H17N/c12-9-11(8-10-4-5-10)6-2-1-3-7-11/h10H,1-8H2
InChIKeyWOJKTQQVTGPLLC-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile

1-(cyclopropylmethyl)cyclohexane-1-carbonitrile (PubChem CID 126977193) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
PubChem CID126977193
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC2CC2)CCCCC1
InChIInChI=1S/C11H17N/c12-9-11(8-10-4-5-10)6-2-1-3-7-11/h10H,1-8H2
InChIKeyWOJKTQQVTGPLLC-UHFFFAOYSA-N
XLogP3.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile (CID 126977193) is 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile is N#CC1(CC2CC2)CCCCC1.
What is the InChIKey of 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile?
The InChIKey is WOJKTQQVTGPLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c12-9-11(8-10-4-5-10)6-2-1-3-7-11/h10H,1-8H2.
What are the key properties of 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile?
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile has a molecular weight of 163.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 126977193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).