N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide

C10H13NO — CID 12672584

IUPACN,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide
SMILESCN(C)C(=O)C1C=CC=CC=C1
InChIInChI=1S/C10H13NO/c1-11(2)10(12)9-7-5-3-4-6-8-9/h3-9H,1-2H3
InChIKeyBJIPPBPRFJTNEC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.37
Rot. Bonds1

About N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide

N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide (PubChem CID 12672584) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide
PubChem CID12672584
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide
SMILESCN(C)C(=O)C1C=CC=CC=C1
InChIInChI=1S/C10H13NO/c1-11(2)10(12)9-7-5-3-4-6-8-9/h3-9H,1-2H3
InChIKeyBJIPPBPRFJTNEC-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide?
The IUPAC name of N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide (CID 12672584) is N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide.
What is the SMILES notation for N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide?
The canonical SMILES for N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide is CN(C)C(=O)C1C=CC=CC=C1.
What is the InChIKey of N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide?
The InChIKey is BJIPPBPRFJTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(2)10(12)9-7-5-3-4-6-8-9/h3-9H,1-2H3.
What are the key properties of N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide?
N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide has a molecular weight of 163.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide is sourced from PubChem (CID 12672584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).