N-methoxycyclohexene-1-carboxamide

C8H13NO2 — CID 130635114

IUPACN-methoxycyclohexene-1-carboxamide
SMILESCONC(=O)C1=CCCCC1
InChIInChI=1S/C8H13NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyPYGAYOWYWCXAQQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.16
Rot. Bonds2

About N-methoxycyclohexene-1-carboxamide

N-methoxycyclohexene-1-carboxamide (PubChem CID 130635114) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methoxycyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-methoxycyclohexene-1-carboxamide
PubChem CID130635114
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-methoxycyclohexene-1-carboxamide
SMILESCONC(=O)C1=CCCCC1
InChIInChI=1S/C8H13NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyPYGAYOWYWCXAQQ-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxycyclohexene-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 N-methoxycyclohexene-1-carboxamide?
The IUPAC name of N-methoxycyclohexene-1-carboxamide (CID 130635114) is N-methoxycyclohexene-1-carboxamide.
What is the SMILES notation for N-methoxycyclohexene-1-carboxamide?
The canonical SMILES for N-methoxycyclohexene-1-carboxamide is CONC(=O)C1=CCCCC1.
What is the InChIKey of N-methoxycyclohexene-1-carboxamide?
The InChIKey is PYGAYOWYWCXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3,(H,9,10).
What are the key properties of N-methoxycyclohexene-1-carboxamide?
N-methoxycyclohexene-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxycyclohexene-1-carboxamide is sourced from PubChem (CID 130635114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).