4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one

C12H12N2O2 — CID 121008005

IUPAC4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one
SMILESNC1=CCC(=O)C(C2=CC(N)=CCC2=O)=C1
InChIInChI=1S/C12H12N2O2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-2,5-6H,3-4,13-14H2
InChIKeyUUCASRFQTKZRBJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.47
Rot. Bonds1

About 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one

4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one (PubChem CID 121008005) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one
PubChem CID121008005
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one
SMILESNC1=CCC(=O)C(C2=CC(N)=CCC2=O)=C1
InChIInChI=1S/C12H12N2O2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-2,5-6H,3-4,13-14H2
InChIKeyUUCASRFQTKZRBJ-UHFFFAOYSA-N
XLogP0.47
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

2-bromocyclobut-2-en-1-one
CID 71545776
4-amino-2H-naphthalen-1-one
CID 140967703
2,3-diamino-4-(4-methylphenyl)cyclohexa-2,4-dien-1-one
CID 163867412
CID 10956449
CID 10956449
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
4-amino-2-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 89018036
5-(aminomethyl)cyclohexa-1,5-dien-1-amine
CID 89240417
2-(aminomethyl)cyclopent-2-en-1-one
CID 54565407
5,8-diamino-2,3-dihydroanthracene-9,10-dione
CID 147843151
3,6-dihydro-2H-isoquinolin-5-one
CID 67530682
7H-chromene-5,6-dione
CID 118589898

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one (CID 121008005) is 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one is NC1=CCC(=O)C(C2=CC(N)=CCC2=O)=C1.
What is the InChIKey of 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is UUCASRFQTKZRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-2,5-6H,3-4,13-14H2.
What are the key properties of 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one?
4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 216.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-amino-6-oxocyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 121008005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).