6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole

C13H14N2O3 — CID 102414836

IUPAC6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H14N2O3/c1-18-8-6-10-9-4-2-3-5-11(9)14-13(10)12(7-8)15(16)17/h6-7,14H,2-5H2,1H3
InChIKeyRHFSCTYBGXTWFX-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.96
Rot. Bonds2

About 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole

6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 102414836) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID102414836
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H14N2O3/c1-18-8-6-10-9-4-2-3-5-11(9)14-13(10)12(7-8)15(16)17/h6-7,14H,2-5H2,1H3
InChIKeyRHFSCTYBGXTWFX-UHFFFAOYSA-N
XLogP2.96
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-5-nitro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 102417377
6-methoxy-2,2-dimethyl-8-nitro-3,9-dihydro-1H-carbazol-4-one
CID 134906911
5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10332067
6-methoxy-8-nitro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 625643
1-ethyl-2,5-dimethoxy-3-nitrobenzene
CID 71106488
2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
methyl 1-chloro-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 69163310
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 14265020
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 84637748
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
CID 53362916

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole (CID 102414836) is 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole is COc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is RHFSCTYBGXTWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-8-6-10-9-4-2-3-5-11(9)14-13(10)12(7-8)15(16)17/h6-7,14H,2-5H2,1H3.
What are the key properties of 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole?
6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 246.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 102414836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).