7-nitro-2,3,4,9-tetrahydro-1H-carbazole

C12H12N2O2 — CID 15621612

IUPAC7-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=[N+]([O-])c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H12N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h5-7,13H,1-4H2
InChIKeyXLQGMWWMXBHMQX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.95
Rot. Bonds1

About 7-nitro-2,3,4,9-tetrahydro-1H-carbazole

7-nitro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 15621612) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-nitro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-nitro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID15621612
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name7-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=[N+]([O-])c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C12H12N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h5-7,13H,1-4H2
InChIKeyXLQGMWWMXBHMQX-UHFFFAOYSA-N
XLogP2.95
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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

7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 6324703
6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 7451039
(4-nitrophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 50887965
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42967592
6-nitro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 68823981
2-methyl-7-nitro-1H-quinolin-4-one
CID 10703350
2-cyclopentyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59316072
ethyl 7-nitro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 13037300
5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10900868
5-nitro-3-[(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57256229
6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568388

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 7-nitro-2,3,4,9-tetrahydro-1H-carbazole (CID 15621612) is 7-nitro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 7-nitro-2,3,4,9-tetrahydro-1H-carbazole is O=[N+]([O-])c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of 7-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is XLQGMWWMXBHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h5-7,13H,1-4H2.
What are the key properties of 7-nitro-2,3,4,9-tetrahydro-1H-carbazole?
7-nitro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 216.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 15621612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).