6-nitro-1,2,3,4-tetrahydroquinoline

C9H10N2O2 — CID 7064110

IUPAC6-nitro-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2
InChIKeyASVYHMUYLBMSKW-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.95
Rot. Bonds1

About 6-nitro-1,2,3,4-tetrahydroquinoline

6-nitro-1,2,3,4-tetrahydroquinoline (PubChem CID 7064110) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-nitro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-nitro-1,2,3,4-tetrahydroquinoline
PubChem CID7064110
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-nitro-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2
InChIKeyASVYHMUYLBMSKW-UHFFFAOYSA-N
XLogP1.95
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.95
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

1,2,3,4-Tetrahydroquinoline
CID 69460
5-Nitroindoline
CID 36219
1,2,3,4-Tetrahydro-7-nitroisoquinoline
CID 6424833
3-Methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
CID 15407445
7-nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
CID 4917312
N-benzyl-2-methyl-4-nitroaniline
CID 2851650
2-[(Cyanomethyl)amino]-5-nitrobenzonitrile
CID 2811094
2-(4-Nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
CID 3124727
1-(3-Methyl-4-nitrophenyl)piperidine
CID 8146215
N-Ethyl-2-methyl-4-nitroaniline
CID 643521
6-Nitro-3,4-dihydroquinolin-2(1H)-one
CID 5111749
N-benzyl-4-nitroaniline
CID 84342

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-nitro-1,2,3,4-tetrahydroquinoline (CID 7064110) is 6-nitro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-nitro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-nitro-1,2,3,4-tetrahydroquinoline is O=[N+]([O-])c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-nitro-1,2,3,4-tetrahydroquinoline?
The InChIKey is ASVYHMUYLBMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2.
What are the key properties of 6-nitro-1,2,3,4-tetrahydroquinoline?
6-nitro-1,2,3,4-tetrahydroquinoline has a molecular weight of 178.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 7064110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).