1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide

C14H22N2O2 — CID 61461784

IUPAC1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)C1CCCO1
InChIInChI=1S/C14H22N2O2/c1-11(12-6-5-9-18-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyWYKRTYUVMWFYTA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds3

About 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide

1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 61461784) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID61461784
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(C#N)CCCCC1)C1CCCO1
InChIInChI=1S/C14H22N2O2/c1-11(12-6-5-9-18-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyWYKRTYUVMWFYTA-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide (CID 61461784) is 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(C#N)CCCCC1)C1CCCO1.
What is the InChIKey of 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is WYKRTYUVMWFYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(12-6-5-9-18-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61461784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).