1-carbazol-9-yl-2-methylbutan-1-one

C17H17NO — CID 58981488

IUPAC1-carbazol-9-yl-2-methylbutan-1-one
SMILESCCC(C)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H17NO/c1-3-12(2)17(19)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12H,3H2,1-2H3
InChIKeyDMPHSLMWDYKGEQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.48
Rot. Bonds2

About 1-carbazol-9-yl-2-methylbutan-1-one

1-carbazol-9-yl-2-methylbutan-1-one (PubChem CID 58981488) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-methylbutan-1-one.

Molecular Properties

Compound Name1-carbazol-9-yl-2-methylbutan-1-one
PubChem CID58981488
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-carbazol-9-yl-2-methylbutan-1-one
SMILESCCC(C)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H17NO/c1-3-12(2)17(19)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12H,3H2,1-2H3
InChIKeyDMPHSLMWDYKGEQ-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-methylbutan-1-one?
The IUPAC name of 1-carbazol-9-yl-2-methylbutan-1-one (CID 58981488) is 1-carbazol-9-yl-2-methylbutan-1-one.
What is the SMILES notation for 1-carbazol-9-yl-2-methylbutan-1-one?
The canonical SMILES for 1-carbazol-9-yl-2-methylbutan-1-one is CCC(C)C(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-2-methylbutan-1-one?
The InChIKey is DMPHSLMWDYKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-12(2)17(19)18-15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-12H,3H2,1-2H3.
What are the key properties of 1-carbazol-9-yl-2-methylbutan-1-one?
1-carbazol-9-yl-2-methylbutan-1-one has a molecular weight of 251.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-methylbutan-1-one is sourced from PubChem (CID 58981488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).