N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane

C11H19NO — CID 142245113

IUPACN,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane
SMILESCC.CN(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C9H13NO.C2H6/c1-10(2)9(11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIJCHAEMUBQWZQD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds1

About N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane

N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane (PubChem CID 142245113) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane.

Molecular Properties

Compound NameN,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane
PubChem CID142245113
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane
SMILESCC.CN(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C9H13NO.C2H6/c1-10(2)9(11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIJCHAEMUBQWZQD-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane 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,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane?
The IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane (CID 142245113) is N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane.
What is the SMILES notation for N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane?
The canonical SMILES for N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane is CC.CN(C)C(=O)C1=CCCC=C1.
What is the InChIKey of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane?
The InChIKey is IJCHAEMUBQWZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-10(2)9(11)8-6-4-3-5-7-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane?
N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexa-1,5-diene-1-carboxamide;ethane is sourced from PubChem (CID 142245113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).