2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one

C14H17NO — CID 126675965

IUPAC2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one
SMILESCCC(C)C(=O)c1cccc2cc(C)[nH]c12
InChIInChI=1S/C14H17NO/c1-4-9(2)14(16)12-7-5-6-11-8-10(3)15-13(11)12/h5-9,15H,4H2,1-3H3
InChIKeyJSHGVNYBHSUUJN-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.71
Rot. Bonds3

About 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one

2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one (PubChem CID 126675965) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one
PubChem CID126675965
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one
SMILESCCC(C)C(=O)c1cccc2cc(C)[nH]c12
InChIInChI=1S/C14H17NO/c1-4-9(2)14(16)12-7-5-6-11-8-10(3)15-13(11)12/h5-9,15H,4H2,1-3H3
InChIKeyJSHGVNYBHSUUJN-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-methylbutan-1-one
CID 107101742
1-(2,5-dimethylthiophen-3-yl)-2-methylbutan-1-one
CID 43161414
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
5-ethyl-2-methyl-1H-indole-7-carboxylic acid
CID 83964802
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422
1-(2,5-dibromo-4-methylphenyl)-2-methylbutan-1-one
CID 81468688
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one (CID 126675965) is 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one is CCC(C)C(=O)c1cccc2cc(C)[nH]c12.
What is the InChIKey of 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one?
The InChIKey is JSHGVNYBHSUUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-9(2)14(16)12-7-5-6-11-8-10(3)15-13(11)12/h5-9,15H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one?
2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1H-indol-7-yl)butan-1-one is sourced from PubChem (CID 126675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).