5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole

C14H16N2O2 — CID 10332067

IUPAC5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc([N+](=O)[O-])c(C)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C14H16N2O2/c1-8-7-12(16(17)18)9(2)13-10-5-3-4-6-11(10)15-14(8)13/h7,15H,3-6H2,1-2H3
InChIKeyOPUWLCCBVSAIJV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.57
Rot. Bonds1

About 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole

5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 10332067) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID10332067
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc([N+](=O)[O-])c(C)c2c3c([nH]c12)CCCC3
InChIInChI=1S/C14H16N2O2/c1-8-7-12(16(17)18)9(2)13-10-5-3-4-6-11(10)15-14(8)13/h7,15H,3-6H2,1-2H3
InChIKeyOPUWLCCBVSAIJV-UHFFFAOYSA-N
XLogP3.57
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
CID 134924795
5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10900868
1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
CID 3272254
6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 102414836
7-methoxy-5-nitro-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 102417377
(Z)-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethylidenehydrazine
CID 6078917
4,7-dimethyl-6-nitro-2,3-dihydro-1-benzofuran
CID 176615986
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
(5,8-dimethyl-6-nitro-9H-carbazol-3-yl) ethyl carbonate
CID 14662737
7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612
6-bromo-1,4-dimethyl-3-nitro-9H-carbazole;6-bromo-9-ethyl-1,4-dimethyl-3-nitrocarbazole
CID 160511075
3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 25228199

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole (CID 10332067) is 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole is Cc1cc([N+](=O)[O-])c(C)c2c3c([nH]c12)CCCC3.
What is the InChIKey of 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is OPUWLCCBVSAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-7-12(16(17)18)9(2)13-10-5-3-4-6-11(10)15-14(8)13/h7,15H,3-6H2,1-2H3.
What are the key properties of 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 244.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 10332067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).