3-methoxy-1-(1-methylindol-3-yl)propan-1-one

C13H15NO2 — CID 174243239

IUPAC3-methoxy-1-(1-methylindol-3-yl)propan-1-one
SMILESCOCCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-14-9-11(13(15)7-8-16-2)10-5-3-4-6-12(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyNAHVDQFQGATDMQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds4

About 3-methoxy-1-(1-methylindol-3-yl)propan-1-one

3-methoxy-1-(1-methylindol-3-yl)propan-1-one (PubChem CID 174243239) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methoxy-1-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(1-methylindol-3-yl)propan-1-one
PubChem CID174243239
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-methoxy-1-(1-methylindol-3-yl)propan-1-one
SMILESCOCCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-14-9-11(13(15)7-8-16-2)10-5-3-4-6-12(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyNAHVDQFQGATDMQ-UHFFFAOYSA-N
XLogP2.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindol-3-yl)octan-1-one
CID 43340220
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methylindole-3-carbothioic S-acid
CID 116918837
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
chloro 1-methylindole-3-carboxylate
CID 69132264
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(1-methylindol-3-yl)propan-1-one (CID 174243239) is 3-methoxy-1-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(1-methylindol-3-yl)propan-1-one is COCCC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 3-methoxy-1-(1-methylindol-3-yl)propan-1-one?
The InChIKey is NAHVDQFQGATDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-9-11(13(15)7-8-16-2)10-5-3-4-6-12(10)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-methoxy-1-(1-methylindol-3-yl)propan-1-one?
3-methoxy-1-(1-methylindol-3-yl)propan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 174243239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).