1-(6-chloro-9-methylcarbazol-3-yl)ethanone

C15H12ClNO — CID 2842796

IUPAC1-(6-chloro-9-methylcarbazol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(Cl)ccc1n2C
InChIInChI=1S/C15H12ClNO/c1-9(18)10-3-5-14-12(7-10)13-8-11(16)4-6-15(13)17(14)2/h3-8H,1-2H3
InChIKeyFILJOPWVEVEOOU-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.19
Rot. Bonds1

About 1-(6-chloro-9-methylcarbazol-3-yl)ethanone

1-(6-chloro-9-methylcarbazol-3-yl)ethanone (PubChem CID 2842796) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(6-chloro-9-methylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-9-methylcarbazol-3-yl)ethanone
PubChem CID2842796
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name1-(6-chloro-9-methylcarbazol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(Cl)ccc1n2C
InChIInChI=1S/C15H12ClNO/c1-9(18)10-3-5-14-12(7-10)13-8-11(16)4-6-15(13)17(14)2/h3-8H,1-2H3
InChIKeyFILJOPWVEVEOOU-UHFFFAOYSA-N
XLogP4.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-9-methylcarbazol-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-9-methylcarbazol-3-yl)ethanone (CID 2842796) is 1-(6-chloro-9-methylcarbazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-9-methylcarbazol-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-9-methylcarbazol-3-yl)ethanone is CC(=O)c1ccc2c(c1)c1cc(Cl)ccc1n2C.
What is the InChIKey of 1-(6-chloro-9-methylcarbazol-3-yl)ethanone?
The InChIKey is FILJOPWVEVEOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-9(18)10-3-5-14-12(7-10)13-8-11(16)4-6-15(13)17(14)2/h3-8H,1-2H3.
What are the key properties of 1-(6-chloro-9-methylcarbazol-3-yl)ethanone?
1-(6-chloro-9-methylcarbazol-3-yl)ethanone has a molecular weight of 257.72 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-9-methylcarbazol-3-yl)ethanone is sourced from PubChem (CID 2842796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).