1,3-dimethylcyclohexa-2,4-diene-1-carboxamide

C9H13NO — CID 19374995

IUPAC1,3-dimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C)(C(N)=O)CC=C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H2,10,11)
InChIKeyJZYJHFATXXJSRA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.38
Rot. Bonds1

About 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide

1,3-dimethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 19374995) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1,3-dimethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID19374995
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,3-dimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCC1=CC(C)(C(N)=O)CC=C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H2,10,11)
InChIKeyJZYJHFATXXJSRA-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide (CID 19374995) is 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide is CC1=CC(C)(C(N)=O)CC=C1.
What is the InChIKey of 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is JZYJHFATXXJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-3-5-9(2,6-7)8(10)11/h3-4,6H,5H2,1-2H3,(H2,10,11).
What are the key properties of 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide?
1,3-dimethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 19374995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).