1-(9-propan-2-ylcarbazol-3-yl)ethanone

C17H17NO — CID 619699

IUPAC1-(9-propan-2-ylcarbazol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H17NO/c1-11(2)18-16-7-5-4-6-14(16)15-10-13(12(3)19)8-9-17(15)18/h4-11H,1-3H3
InChIKeyVNPUIJZPRGOMGS-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.58
Rot. Bonds2

About 1-(9-propan-2-ylcarbazol-3-yl)ethanone

1-(9-propan-2-ylcarbazol-3-yl)ethanone (PubChem CID 619699) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(9-propan-2-ylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-propan-2-ylcarbazol-3-yl)ethanone
PubChem CID619699
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(9-propan-2-ylcarbazol-3-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H17NO/c1-11(2)18-16-7-5-4-6-14(16)15-10-13(12(3)19)8-9-17(15)18/h4-11H,1-3H3
InChIKeyVNPUIJZPRGOMGS-UHFFFAOYSA-N
XLogP4.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-propan-2-ylcarbazol-3-yl)ethanone?
The IUPAC name of 1-(9-propan-2-ylcarbazol-3-yl)ethanone (CID 619699) is 1-(9-propan-2-ylcarbazol-3-yl)ethanone.
What is the SMILES notation for 1-(9-propan-2-ylcarbazol-3-yl)ethanone?
The canonical SMILES for 1-(9-propan-2-ylcarbazol-3-yl)ethanone is CC(=O)c1ccc2c(c1)c1ccccc1n2C(C)C.
What is the InChIKey of 1-(9-propan-2-ylcarbazol-3-yl)ethanone?
The InChIKey is VNPUIJZPRGOMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11(2)18-16-7-5-4-6-14(16)15-10-13(12(3)19)8-9-17(15)18/h4-11H,1-3H3.
What are the key properties of 1-(9-propan-2-ylcarbazol-3-yl)ethanone?
1-(9-propan-2-ylcarbazol-3-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-propan-2-ylcarbazol-3-yl)ethanone is sourced from PubChem (CID 619699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).