N-prop-2-enylcyclohexanecarboxamide

C10H17NO — CID 5019203

IUPACN-prop-2-enylcyclohexanecarboxamide
SMILESC=CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyVAQYKSHMQTWRJZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds3

About N-prop-2-enylcyclohexanecarboxamide

N-prop-2-enylcyclohexanecarboxamide (PubChem CID 5019203) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-prop-2-enylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-prop-2-enylcyclohexanecarboxamide
PubChem CID5019203
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-prop-2-enylcyclohexanecarboxamide
SMILESC=CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,11,12)
InChIKeyVAQYKSHMQTWRJZ-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-prop-2-enylcyclohexanecarboxamide 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 N-prop-2-enylcyclohexanecarboxamide?
The IUPAC name of N-prop-2-enylcyclohexanecarboxamide (CID 5019203) is N-prop-2-enylcyclohexanecarboxamide.
What is the SMILES notation for N-prop-2-enylcyclohexanecarboxamide?
The canonical SMILES for N-prop-2-enylcyclohexanecarboxamide is C=CCNC(=O)C1CCCCC1.
What is the InChIKey of N-prop-2-enylcyclohexanecarboxamide?
The InChIKey is VAQYKSHMQTWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,11,12).
What are the key properties of N-prop-2-enylcyclohexanecarboxamide?
N-prop-2-enylcyclohexanecarboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclohexanecarboxamide is sourced from PubChem (CID 5019203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).