6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one

C8H11NO — CID 22465822

IUPAC6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=C(C)C(N)C1=O
InChIInChI=1S/C8H11NO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7H,9H2,1-2H3
InChIKeyOXOUOELNJDWKDL-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.79
Rot. Bonds

About 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one

6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 22465822) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one
PubChem CID22465822
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one
SMILESCC1=CC=C(C)C(N)C1=O
InChIInChI=1S/C8H11NO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7H,9H2,1-2H3
InChIKeyOXOUOELNJDWKDL-UHFFFAOYSA-N
XLogP0.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one (CID 22465822) is 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one is CC1=CC=C(C)C(N)C1=O.
What is the InChIKey of 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one?
The InChIKey is OXOUOELNJDWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7H,9H2,1-2H3.
What are the key properties of 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one?
6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 137.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 22465822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).