8-nitro-1,2-dihydroquinoline

C9H8N2O2 — CID 11008448

IUPAC8-nitro-1,2-dihydroquinoline
SMILESO=[N+]([O-])c1cccc2c1NCC=C2
InChIInChI=1S/C9H8N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-5,10H,6H2
InChIKeyUORIPNYKFAERJM-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.03
Rot. Bonds1

About 8-nitro-1,2-dihydroquinoline

8-nitro-1,2-dihydroquinoline (PubChem CID 11008448) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 8-nitro-1,2-dihydroquinoline.

Molecular Properties

Compound Name8-nitro-1,2-dihydroquinoline
PubChem CID11008448
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name8-nitro-1,2-dihydroquinoline
SMILESO=[N+]([O-])c1cccc2c1NCC=C2
InChIInChI=1S/C9H8N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-5,10H,6H2
InChIKeyUORIPNYKFAERJM-UHFFFAOYSA-N
XLogP2.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
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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Related Compounds

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CID 141383670
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2-chloro-7-nitro-2,3-dihydro-1H-indole
CID 86253542
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
3,5-dimethyl-9-nitro-2,3-dihydro-1H-1,4-benzodiazepine
CID 135526954
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CID 158959684
2-(2,6-dinitrophenyl)sulfanyl-1,3-dinitrobenzene
CID 154253761
1,5,9-trinitrotriphenylene
CID 86227277
2-[(2,6-dinitrophenyl)diselanyl]-1,3-dinitrobenzene
CID 88784383
hydrazine;1,2,3-trinitrobenzene
CID 174855794
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445

Frequently Asked Questions

What is the IUPAC name of 8-nitro-1,2-dihydroquinoline?
The IUPAC name of 8-nitro-1,2-dihydroquinoline (CID 11008448) is 8-nitro-1,2-dihydroquinoline.
What is the SMILES notation for 8-nitro-1,2-dihydroquinoline?
The canonical SMILES for 8-nitro-1,2-dihydroquinoline is O=[N+]([O-])c1cccc2c1NCC=C2.
What is the InChIKey of 8-nitro-1,2-dihydroquinoline?
The InChIKey is UORIPNYKFAERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-5,10H,6H2.
What are the key properties of 8-nitro-1,2-dihydroquinoline?
8-nitro-1,2-dihydroquinoline has a molecular weight of 176.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-1,2-dihydroquinoline is sourced from PubChem (CID 11008448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).