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

C12H11ClN2O — CID 90770100

IUPAC6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,11,14H,1-3H2
InChIKeyICKWTEUUGNNSAK-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.97
Rot. Bonds1

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

6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 90770100) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID90770100
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
SMILESO=NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,11,14H,1-3H2
InChIKeyICKWTEUUGNNSAK-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-1-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole (CID 90770100) is 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole is O=NC1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is ICKWTEUUGNNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,11,14H,1-3H2.
What are the key properties of 6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole?
6-chloro-1-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-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 90770100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).