1-(6,9-dihydro-5H-carbazol-2-yl)ethanone

C14H13NO — CID 22294501

IUPAC1-(6,9-dihydro-5H-carbazol-2-yl)ethanone
SMILESCC(=O)c1ccc2c3c([nH]c2c1)C=CCC3
InChIInChI=1S/C14H13NO/c1-9(16)10-6-7-12-11-4-2-3-5-13(11)15-14(12)8-10/h3,5-8,15H,2,4H2,1H3
InChIKeyKLKXDGLIMSYSBU-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.33
Rot. Bonds1

About 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone

1-(6,9-dihydro-5H-carbazol-2-yl)ethanone (PubChem CID 22294501) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6,9-dihydro-5H-carbazol-2-yl)ethanone
PubChem CID22294501
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(6,9-dihydro-5H-carbazol-2-yl)ethanone
SMILESCC(=O)c1ccc2c3c([nH]c2c1)C=CCC3
InChIInChI=1S/C14H13NO/c1-9(16)10-6-7-12-11-4-2-3-5-13(11)15-14(12)8-10/h3,5-8,15H,2,4H2,1H3
InChIKeyKLKXDGLIMSYSBU-UHFFFAOYSA-N
XLogP3.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone?
The IUPAC name of 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone (CID 22294501) is 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone.
What is the SMILES notation for 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone?
The canonical SMILES for 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone is CC(=O)c1ccc2c3c([nH]c2c1)C=CCC3.
What is the InChIKey of 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone?
The InChIKey is KLKXDGLIMSYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-9(16)10-6-7-12-11-4-2-3-5-13(11)15-14(12)8-10/h3,5-8,15H,2,4H2,1H3.
What are the key properties of 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone?
1-(6,9-dihydro-5H-carbazol-2-yl)ethanone has a molecular weight of 211.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,9-dihydro-5H-carbazol-2-yl)ethanone is sourced from PubChem (CID 22294501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).