5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole

C14H16N2O2 — CID 10900868

IUPAC5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc2[nH]c3c(c2c(C)c1[N+](=O)[O-])CCCC3
InChIInChI=1S/C14H16N2O2/c1-8-7-12-13(9(2)14(8)16(17)18)10-5-3-4-6-11(10)15-12/h7,15H,3-6H2,1-2H3
InChIKeyGYMGLMIOBRMGCK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.57
Rot. Bonds1

About 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole

5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 10900868) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID10900868
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1cc2[nH]c3c(c2c(C)c1[N+](=O)[O-])CCCC3
InChIInChI=1S/C14H16N2O2/c1-8-7-12-13(9(2)14(8)16(17)18)10-5-3-4-6-11(10)15-12/h7,15H,3-6H2,1-2H3
InChIKeyGYMGLMIOBRMGCK-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'}

Analyze 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 10332067
7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 6324703
7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612
5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
CID 79195348
1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 175111813
1,6-dimethyl-8,9,10,11-tetrahydro-7H-pyrano[2,3-c]carbazol-3-one
CID 3272254
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
6-methoxy-7-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 102527727
6-methoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 102414836
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798227

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole (CID 10900868) is 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole is Cc1cc2[nH]c3c(c2c(C)c1[N+](=O)[O-])CCCC3.
What is the InChIKey of 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is GYMGLMIOBRMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-7-12-13(9(2)14(8)16(17)18)10-5-3-4-6-11(10)15-12/h7,15H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole?
5,7-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 5,7-dimethyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 10900868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).