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

C9H13NO — CID 89024015

IUPACN,N-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-10(2)9(11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyOACZZFTZXVPSFL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds1

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

N,N-dimethylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 89024015) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N,N-dimethylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylcyclohexa-1,5-diene-1-carboxamide
PubChem CID89024015
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN,N-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C(=O)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-10(2)9(11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyOACZZFTZXVPSFL-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide (CID 89024015) is N,N-dimethylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N,N-dimethylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N,N-dimethylcyclohexa-1,5-diene-1-carboxamide is CN(C)C(=O)C1=CCCC=C1.
What is the InChIKey of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OACZZFTZXVPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10(2)9(11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexa-1,5-diene-1-carboxamide?
N,N-dimethylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.35, 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 is sourced from PubChem (CID 89024015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).