3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one

C15H19NO — CID 62025224

IUPAC3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
SMILESCc1ccc2ccn(CC(=O)C(C)(C)C)c2c1
InChIInChI=1S/C15H19NO/c1-11-5-6-12-7-8-16(13(12)9-11)10-14(17)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyIJUGRPHXFBUDSL-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.56
Rot. Bonds2

About 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one

3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one (PubChem CID 62025224) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
PubChem CID62025224
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
SMILESCc1ccc2ccn(CC(=O)C(C)(C)C)c2c1
InChIInChI=1S/C15H19NO/c1-11-5-6-12-7-8-16(13(12)9-11)10-14(17)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyIJUGRPHXFBUDSL-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
2,2-dimethyl-3-(6-methylindol-1-yl)propanoic acid
CID 79629461
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
methyl 2-methyl-4-(6-methylindol-1-yl)but-2-enoate
CID 77075145
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
1-(2-fluorophenyl)-2-(6-methylindol-1-yl)ethanone
CID 62025038
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one (CID 62025224) is 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one is Cc1ccc2ccn(CC(=O)C(C)(C)C)c2c1.
What is the InChIKey of 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one?
The InChIKey is IJUGRPHXFBUDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-5-6-12-7-8-16(13(12)9-11)10-14(17)15(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one?
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one is sourced from PubChem (CID 62025224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).