1-[9-(2-methylpropyl)carbazol-3-yl]ethanone

C18H19NO — CID 2197385

IUPAC1-[9-(2-methylpropyl)carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2CC(C)C
InChIInChI=1S/C18H19NO/c1-12(2)11-19-17-7-5-4-6-15(17)16-10-14(13(3)20)8-9-18(16)19/h4-10,12H,11H2,1-3H3
InChIKeyPWULQERVRZMPEI-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.65
Rot. Bonds3

About 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone

1-[9-(2-methylpropyl)carbazol-3-yl]ethanone (PubChem CID 2197385) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(2-methylpropyl)carbazol-3-yl]ethanone
PubChem CID2197385
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[9-(2-methylpropyl)carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2CC(C)C
InChIInChI=1S/C18H19NO/c1-12(2)11-19-17-7-5-4-6-15(17)16-10-14(13(3)20)8-9-18(16)19/h4-10,12H,11H2,1-3H3
InChIKeyPWULQERVRZMPEI-UHFFFAOYSA-N
XLogP4.65
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone?
The IUPAC name of 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone (CID 2197385) is 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone?
The canonical SMILES for 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone is CC(=O)c1ccc2c(c1)c1ccccc1n2CC(C)C.
What is the InChIKey of 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone?
The InChIKey is PWULQERVRZMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)11-19-17-7-5-4-6-15(17)16-10-14(13(3)20)8-9-18(16)19/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone?
1-[9-(2-methylpropyl)carbazol-3-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2-methylpropyl)carbazol-3-yl]ethanone is sourced from PubChem (CID 2197385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).