1-(1H-indol-3-yl)-3-methoxypropan-1-one

C12H13NO2 — CID 163900089

IUPAC1-(1H-indol-3-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-7-6-12(14)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3
InChIKeyQJBDOLQQDBXDOJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.39
Rot. Bonds4

About 1-(1H-indol-3-yl)-3-methoxypropan-1-one

1-(1H-indol-3-yl)-3-methoxypropan-1-one (PubChem CID 163900089) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-methoxypropan-1-one
PubChem CID163900089
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1H-indol-3-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-7-6-12(14)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3
InChIKeyQJBDOLQQDBXDOJ-UHFFFAOYSA-N
XLogP2.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 3-[[4-(1H-indol-3-yl)-4-oxobutyl]-methylamino]-3-oxopropanoate
CID 13351531

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(1H-indol-3-yl)-3-methoxypropan-1-one (CID 163900089) is 1-(1H-indol-3-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(1H-indol-3-yl)-3-methoxypropan-1-one is COCCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-methoxypropan-1-one?
The InChIKey is QJBDOLQQDBXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-7-6-12(14)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-3-methoxypropan-1-one?
1-(1H-indol-3-yl)-3-methoxypropan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 163900089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).