3-(5-methylindol-1-yl)-1-phenylpropan-1-one

C18H17NO — CID 116691935

IUPAC3-(5-methylindol-1-yl)-1-phenylpropan-1-one
SMILESCc1ccc2c(ccn2CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO/c1-14-7-8-17-16(13-14)9-11-19(17)12-10-18(20)15-5-3-2-4-6-15/h2-9,11,13H,10,12H2,1H3
InChIKeyXYHZZIDAEUGOTI-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.22
Rot. Bonds4

About 3-(5-methylindol-1-yl)-1-phenylpropan-1-one

3-(5-methylindol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691935) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(5-methylindol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-methylindol-1-yl)-1-phenylpropan-1-one
PubChem CID116691935
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3-(5-methylindol-1-yl)-1-phenylpropan-1-one
SMILESCc1ccc2c(ccn2CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17NO/c1-14-7-8-17-16(13-14)9-11-19(17)12-10-18(20)15-5-3-2-4-6-15/h2-9,11,13H,10,12H2,1H3
InChIKeyXYHZZIDAEUGOTI-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
CID 63851293
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776
3-(4-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691890
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(5-methylindol-1-yl)propan-1-one
CID 166282648
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
2,2-dimethyl-6-(5-methylindol-1-yl)hexanoic acid
CID 106714189
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
1-(2-methoxyethyl)-5-methylindole
CID 116622979
N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
CID 59034901

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylindol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(5-methylindol-1-yl)-1-phenylpropan-1-one (CID 116691935) is 3-(5-methylindol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(5-methylindol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(5-methylindol-1-yl)-1-phenylpropan-1-one is Cc1ccc2c(ccn2CCC(=O)c2ccccc2)c1.
What is the InChIKey of 3-(5-methylindol-1-yl)-1-phenylpropan-1-one?
The InChIKey is XYHZZIDAEUGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-7-8-17-16(13-14)9-11-19(17)12-10-18(20)15-5-3-2-4-6-15/h2-9,11,13H,10,12H2,1H3.
What are the key properties of 3-(5-methylindol-1-yl)-1-phenylpropan-1-one?
3-(5-methylindol-1-yl)-1-phenylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylindol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).