2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

C15H16ClNO — CID 3155450

IUPAC2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCC1CCc2c(c3ccccc3n2C(=O)CCl)C1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)17(14)15(18)9-16/h2-5,10H,6-9H2,1H3
InChIKeyXPSHOQZAOPEZGZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.65
Rot. Bonds1

About 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (PubChem CID 3155450) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
PubChem CID3155450
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCC1CCc2c(c3ccccc3n2C(=O)CCl)C1
InChIInChI=1S/C15H16ClNO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)17(14)15(18)9-16/h2-5,10H,6-9H2,1H3
InChIKeyXPSHOQZAOPEZGZ-UHFFFAOYSA-N
XLogP3.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone 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 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The IUPAC name of 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (CID 3155450) is 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is CC1CCc2c(c3ccccc3n2C(=O)CCl)C1.
What is the InChIKey of 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The InChIKey is XPSHOQZAOPEZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)17(14)15(18)9-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone has a molecular weight of 261.75 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is sourced from PubChem (CID 3155450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).