1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one

C14H16N2O — CID 67186064

IUPAC1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
SMILESCC(C(=O)N1CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c1-10(14(17)16-7-4-8-16)12-9-15-13-6-3-2-5-11(12)13/h2-3,5-6,9-10,15H,4,7-8H2,1H3
InChIKeyYOQKYOQXRPHTAD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.50
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one

1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one (PubChem CID 67186064) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
PubChem CID67186064
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one
SMILESCC(C(=O)N1CCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c1-10(14(17)16-7-4-8-16)12-9-15-13-6-3-2-5-11(12)13/h2-3,5-6,9-10,15H,4,7-8H2,1H3
InChIKeyYOQKYOQXRPHTAD-UHFFFAOYSA-N
XLogP2.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
1-[4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56792883
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium
CID 9328017
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159942
2-(2-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 140971156
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 70160615

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one (CID 67186064) is 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one is CC(C(=O)N1CCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one?
The InChIKey is YOQKYOQXRPHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(14(17)16-7-4-8-16)12-9-15-13-6-3-2-5-11(12)13/h2-3,5-6,9-10,15H,4,7-8H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one?
1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 67186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).