2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide

C10H13NO — CID 123909306

IUPAC2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=NC(=O)C1=C(C)CCC=C1C
InChIInChI=1S/C10H13NO/c1-7-5-4-6-8(2)9(7)10(12)11-3/h5H,3-4,6H2,1-2H3
InChIKeyYWGWZJNGGHTMEP-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.27
Rot. Bonds1

About 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide

2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 123909306) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID123909306
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=NC(=O)C1=C(C)CCC=C1C
InChIInChI=1S/C10H13NO/c1-7-5-4-6-8(2)9(7)10(12)11-3/h5H,3-4,6H2,1-2H3
InChIKeyYWGWZJNGGHTMEP-UHFFFAOYSA-N
XLogP2.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-methylideneocta-2,4,7-trienamide
CID 123605624
(E)-N-methylidene-2-propylhex-2-enamide
CID 141239131
N-methylidene-2-propylhex-2-enamide
CID 175550013

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 123909306) is 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide is C=NC(=O)C1=C(C)CCC=C1C.
What is the InChIKey of 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is YWGWZJNGGHTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-5-4-6-8(2)9(7)10(12)11-3/h5H,3-4,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide?
2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 123909306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).