6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole

C12H11ClN2O — CID 123308396

IUPAC6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=NC1CCCc2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,11,14H,1-3H2
InChIKeyWKWRLRHWWVUWFI-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.97
Rot. Bonds1

About 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole

6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 123308396) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID123308396
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=NC1CCCc2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,11,14H,1-3H2
InChIKeyWKWRLRHWWVUWFI-UHFFFAOYSA-N
XLogP3.97
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-4-nitroso-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

6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68760066
(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
CID 84741102
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
N-methyl-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84741422
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylic acid
CID 90294086
(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol
CID 146387814
1-(9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)ethanone
CID 67357282
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630858
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
CID 69235228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole (CID 123308396) is 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole is O=NC1CCCc2[nH]c3ccc(Cl)cc3c21.
What is the InChIKey of 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is WKWRLRHWWVUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-7-4-5-9-8(6-7)12-10(14-9)2-1-3-11(12)15-16/h4-6,11,14H,1-3H2.
What are the key properties of 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 234.69 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 123308396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).