4-amino-6-methylcyclohexa-2,4-dien-1-one

C7H9NO — CID 150471908

IUPAC4-amino-6-methylcyclohexa-2,4-dien-1-one
SMILESCC1C=C(N)C=CC1=O
InChIInChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-5H,8H2,1H3
InChIKeyHRYXODBXYBCFSD-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.60
Rot. Bonds

About 4-amino-6-methylcyclohexa-2,4-dien-1-one

4-amino-6-methylcyclohexa-2,4-dien-1-one (PubChem CID 150471908) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-amino-6-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-amino-6-methylcyclohexa-2,4-dien-1-one
PubChem CID150471908
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-amino-6-methylcyclohexa-2,4-dien-1-one
SMILESCC1C=C(N)C=CC1=O
InChIInChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-5H,8H2,1H3
InChIKeyHRYXODBXYBCFSD-UHFFFAOYSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-amino-6-methylcyclohexa-2,4-dien-1-one (CID 150471908) is 4-amino-6-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-amino-6-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-amino-6-methylcyclohexa-2,4-dien-1-one is CC1C=C(N)C=CC1=O.
What is the InChIKey of 4-amino-6-methylcyclohexa-2,4-dien-1-one?
The InChIKey is HRYXODBXYBCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-5H,8H2,1H3.
What are the key properties of 4-amino-6-methylcyclohexa-2,4-dien-1-one?
4-amino-6-methylcyclohexa-2,4-dien-1-one has a molecular weight of 123.15 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 150471908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).