7-nitro-4aH-quinolin-2-one

C9H6N2O3 — CID 74029554

IUPAC7-nitro-4aH-quinolin-2-one
SMILESO=C1C=CC2C=CC([N+](=O)[O-])=CC2=N1
InChIInChI=1S/C9H6N2O3/c12-9-4-2-6-1-3-7(11(13)14)5-8(6)10-9/h1-6H
InChIKeyRHJFCPZUBQTTHM-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.87
Rot. Bonds1

About 7-nitro-4aH-quinolin-2-one

7-nitro-4aH-quinolin-2-one (PubChem CID 74029554) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 7-nitro-4aH-quinolin-2-one.

Molecular Properties

Compound Name7-nitro-4aH-quinolin-2-one
PubChem CID74029554
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name7-nitro-4aH-quinolin-2-one
SMILESO=C1C=CC2C=CC([N+](=O)[O-])=CC2=N1
InChIInChI=1S/C9H6N2O3/c12-9-4-2-6-1-3-7(11(13)14)5-8(6)10-9/h1-6H
InChIKeyRHJFCPZUBQTTHM-UHFFFAOYSA-N
XLogP0.87
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-nitro-4aH-quinolin-2-one?
The IUPAC name of 7-nitro-4aH-quinolin-2-one (CID 74029554) is 7-nitro-4aH-quinolin-2-one.
What is the SMILES notation for 7-nitro-4aH-quinolin-2-one?
The canonical SMILES for 7-nitro-4aH-quinolin-2-one is O=C1C=CC2C=CC([N+](=O)[O-])=CC2=N1.
What is the InChIKey of 7-nitro-4aH-quinolin-2-one?
The InChIKey is RHJFCPZUBQTTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9-4-2-6-1-3-7(11(13)14)5-8(6)10-9/h1-6H.
What are the key properties of 7-nitro-4aH-quinolin-2-one?
7-nitro-4aH-quinolin-2-one has a molecular weight of 190.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-4aH-quinolin-2-one is sourced from PubChem (CID 74029554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).