2-cyano-N-(2-methylcyclohexyl)acetamide

C10H16N2O — CID 3843297

IUPAC2-cyano-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC#N
InChIInChI=1S/C10H16N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyXPUYGCBMIJLBQJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds2

About 2-cyano-N-(2-methylcyclohexyl)acetamide

2-cyano-N-(2-methylcyclohexyl)acetamide (PubChem CID 3843297) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyano-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylcyclohexyl)acetamide
PubChem CID3843297
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-cyano-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CC#N
InChIInChI=1S/C10H16N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h8-9H,2-6H2,1H3,(H,12,13)
InChIKeyXPUYGCBMIJLBQJ-UHFFFAOYSA-N
XLogP1.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methylcyclohexyl)acetamide (CID 3843297) is 2-cyano-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methylcyclohexyl)acetamide?
The InChIKey is XPUYGCBMIJLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h8-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(2-methylcyclohexyl)acetamide?
2-cyano-N-(2-methylcyclohexyl)acetamide has a molecular weight of 180.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3843297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).