1,2-dihydrocinnoline-3,4-dione

C8H6N2O2 — CID 2726774

IUPAC1,2-dihydrocinnoline-3,4-dione
SMILESO=c1[nH][nH]c2ccccc2c1=O
InChIInChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-10-8(7)12/h1-4H,(H,9,11)(H,10,12)
InChIKeyXYYSYQXZORUJPN-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.22
Rot. Bonds

About 1,2-dihydrocinnoline-3,4-dione

1,2-dihydrocinnoline-3,4-dione (PubChem CID 2726774) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1,2-dihydrocinnoline-3,4-dione.

Molecular Properties

Compound Name1,2-dihydrocinnoline-3,4-dione
PubChem CID2726774
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1,2-dihydrocinnoline-3,4-dione
SMILESO=c1[nH][nH]c2ccccc2c1=O
InChIInChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-10-8(7)12/h1-4H,(H,9,11)(H,10,12)
InChIKeyXYYSYQXZORUJPN-UHFFFAOYSA-N
XLogP0.22
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 10638
1,2,3-Benzotriazin-4-one
CID 135408793
Isoluminol
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CID 94728
2-amino-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3464469
Sodium luminolate
CID 15480750
1-(2-Aminobenzoyl)-2-benzoylhydrazine
CID 4550515
5-Amino-2,3-dihydrophthalazine-1,4-dione--hydrogen chloride (1/1)
CID 24802270
N'-acetyl-2-aminobenzohydrazide
CID 261153
2-amino-N'-(2-aminobenzoyl)benzohydrazide
CID 392122
2-amino-N'-phenylbenzohydrazide
CID 12199185
2(1H)-Cinnolineacetamide, 3,4-dihydro-4-oxo-N-propyl-
CID 3074499

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrocinnoline-3,4-dione?
The IUPAC name of 1,2-dihydrocinnoline-3,4-dione (CID 2726774) is 1,2-dihydrocinnoline-3,4-dione.
What is the SMILES notation for 1,2-dihydrocinnoline-3,4-dione?
The canonical SMILES for 1,2-dihydrocinnoline-3,4-dione is O=c1[nH][nH]c2ccccc2c1=O.
What is the InChIKey of 1,2-dihydrocinnoline-3,4-dione?
The InChIKey is XYYSYQXZORUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-10-8(7)12/h1-4H,(H,9,11)(H,10,12).
What are the key properties of 1,2-dihydrocinnoline-3,4-dione?
1,2-dihydrocinnoline-3,4-dione has a molecular weight of 162.15 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrocinnoline-3,4-dione is sourced from PubChem (CID 2726774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).