1-(6-chloro-9H-carbazol-2-yl)ethanone

C14H10ClNO — CID 15188599

IUPAC1-(6-chloro-9H-carbazol-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C14H10ClNO/c1-8(17)9-2-4-11-12-7-10(15)3-5-13(12)16-14(11)6-9/h2-7,16H,1H3
InChIKeyVCGYUAQMIROOQM-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.18
Rot. Bonds1

About 1-(6-chloro-9H-carbazol-2-yl)ethanone

1-(6-chloro-9H-carbazol-2-yl)ethanone (PubChem CID 15188599) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(6-chloro-9H-carbazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-9H-carbazol-2-yl)ethanone
PubChem CID15188599
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name1-(6-chloro-9H-carbazol-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C14H10ClNO/c1-8(17)9-2-4-11-12-7-10(15)3-5-13(12)16-14(11)6-9/h2-7,16H,1H3
InChIKeyVCGYUAQMIROOQM-UHFFFAOYSA-N
XLogP4.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-9H-carbazol-2-yl)ethanone?
The IUPAC name of 1-(6-chloro-9H-carbazol-2-yl)ethanone (CID 15188599) is 1-(6-chloro-9H-carbazol-2-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-9H-carbazol-2-yl)ethanone?
The canonical SMILES for 1-(6-chloro-9H-carbazol-2-yl)ethanone is CC(=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-(6-chloro-9H-carbazol-2-yl)ethanone?
The InChIKey is VCGYUAQMIROOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-8(17)9-2-4-11-12-7-10(15)3-5-13(12)16-14(11)6-9/h2-7,16H,1H3.
What are the key properties of 1-(6-chloro-9H-carbazol-2-yl)ethanone?
1-(6-chloro-9H-carbazol-2-yl)ethanone has a molecular weight of 243.69 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-9H-carbazol-2-yl)ethanone is sourced from PubChem (CID 15188599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).