N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide

C10H13NO — CID 129059548

IUPACN-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide
SMILESC=C1CC=CC=C(C(=O)NC)C1
InChIInChI=1S/C10H13NO/c1-8-5-3-4-6-9(7-8)10(12)11-2/h3-4,6H,1,5,7H2,2H3,(H,11,12)
InChIKeyIFCXAFRATSABHP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds1

About N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide

N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide (PubChem CID 129059548) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide
PubChem CID129059548
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide
SMILESC=C1CC=CC=C(C(=O)NC)C1
InChIInChI=1S/C10H13NO/c1-8-5-3-4-6-9(7-8)10(12)11-2/h3-4,6H,1,5,7H2,2H3,(H,11,12)
InChIKeyIFCXAFRATSABHP-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-6-methylidenecyclohepta-1,3-diene-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-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide?
The IUPAC name of N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide (CID 129059548) is N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide?
The canonical SMILES for N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide is C=C1CC=CC=C(C(=O)NC)C1.
What is the InChIKey of N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide?
The InChIKey is IFCXAFRATSABHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-5-3-4-6-9(7-8)10(12)11-2/h3-4,6H,1,5,7H2,2H3,(H,11,12).
What are the key properties of N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide?
N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylidenecyclohepta-1,3-diene-1-carboxamide is sourced from PubChem (CID 129059548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).