1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile

C12H19NO — CID 65378457

IUPAC1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC2CCCO2)CCCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h11H,1-9H2
InChIKeyBJRRGCNCUZPJEJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.03
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile

1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile (PubChem CID 65378457) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
PubChem CID65378457
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC2CCCO2)CCCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h11H,1-9H2
InChIKeyBJRRGCNCUZPJEJ-UHFFFAOYSA-N
XLogP3.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile (CID 65378457) is 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile is N#CC1(CC2CCCO2)CCCCC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
The InChIKey is BJRRGCNCUZPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h11H,1-9H2.
What are the key properties of 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile?
1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 65378457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).