(2-nitro-2H-quinolin-3-ylidene)methanone

C10H6N2O3 — CID 140973032

IUPAC(2-nitro-2H-quinolin-3-ylidene)methanone
SMILESO=C=C1C=c2ccccc2=NC1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3/c13-6-8-5-7-3-1-2-4-9(7)11-10(8)12(14)15/h1-5,10H
InChIKeyZJOMOTKHTSPVBK-UHFFFAOYSA-N
MW202.17 g/mol
LogP-0.54
Rot. Bonds1

About (2-nitro-2H-quinolin-3-ylidene)methanone

(2-nitro-2H-quinolin-3-ylidene)methanone (PubChem CID 140973032) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is (2-nitro-2H-quinolin-3-ylidene)methanone.

Molecular Properties

Compound Name(2-nitro-2H-quinolin-3-ylidene)methanone
PubChem CID140973032
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name(2-nitro-2H-quinolin-3-ylidene)methanone
SMILESO=C=C1C=c2ccccc2=NC1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O3/c13-6-8-5-7-3-1-2-4-9(7)11-10(8)12(14)15/h1-5,10H
InChIKeyZJOMOTKHTSPVBK-UHFFFAOYSA-N
XLogP-0.54
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Quinolinone, 6-nitro-
CID 73994936
3-methyl-3-nitro-1-oxido-2H-quinolin-1-ium
CID 140059897
3-nitro-3H-quinolin-2-one
CID 45025452
6-nitro-6H-quinolin-2-one
CID 76845642

Frequently Asked Questions

What is the IUPAC name of (2-nitro-2H-quinolin-3-ylidene)methanone?
The IUPAC name of (2-nitro-2H-quinolin-3-ylidene)methanone (CID 140973032) is (2-nitro-2H-quinolin-3-ylidene)methanone.
What is the SMILES notation for (2-nitro-2H-quinolin-3-ylidene)methanone?
The canonical SMILES for (2-nitro-2H-quinolin-3-ylidene)methanone is O=C=C1C=c2ccccc2=NC1[N+](=O)[O-].
What is the InChIKey of (2-nitro-2H-quinolin-3-ylidene)methanone?
The InChIKey is ZJOMOTKHTSPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-6-8-5-7-3-1-2-4-9(7)11-10(8)12(14)15/h1-5,10H.
What are the key properties of (2-nitro-2H-quinolin-3-ylidene)methanone?
(2-nitro-2H-quinolin-3-ylidene)methanone has a molecular weight of 202.17 g/mol, XLogP of -0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-2H-quinolin-3-ylidene)methanone is sourced from PubChem (CID 140973032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).