3-methyl-1-(2-methylindol-1-yl)butan-2-one

C14H17NO — CID 12795650

IUPAC3-methyl-1-(2-methylindol-1-yl)butan-2-one
SMILESCc1cc2ccccc2n1CC(=O)C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyGMZMXYDMQVKHCX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.17
Rot. Bonds3

About 3-methyl-1-(2-methylindol-1-yl)butan-2-one

3-methyl-1-(2-methylindol-1-yl)butan-2-one (PubChem CID 12795650) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-1-(2-methylindol-1-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylindol-1-yl)butan-2-one
PubChem CID12795650
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-methyl-1-(2-methylindol-1-yl)butan-2-one
SMILESCc1cc2ccccc2n1CC(=O)C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3
InChIKeyGMZMXYDMQVKHCX-UHFFFAOYSA-N
XLogP3.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylindol-1-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(2-methylindol-1-yl)butan-2-one (CID 12795650) is 3-methyl-1-(2-methylindol-1-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylindol-1-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(2-methylindol-1-yl)butan-2-one is Cc1cc2ccccc2n1CC(=O)C(C)C.
What is the InChIKey of 3-methyl-1-(2-methylindol-1-yl)butan-2-one?
The InChIKey is GMZMXYDMQVKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)14(16)9-15-11(3)8-12-6-4-5-7-13(12)15/h4-8,10H,9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylindol-1-yl)butan-2-one?
3-methyl-1-(2-methylindol-1-yl)butan-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylindol-1-yl)butan-2-one is sourced from PubChem (CID 12795650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).