azetidin-1-yl-(1-methylindol-3-yl)methanone

C13H14N2O — CID 17458441

IUPACazetidin-1-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-14-9-11(13(16)15-7-4-8-15)10-5-2-3-6-12(10)14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyQMSBSVOORRUTQG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.02
Rot. Bonds1

About azetidin-1-yl-(1-methylindol-3-yl)methanone

azetidin-1-yl-(1-methylindol-3-yl)methanone (PubChem CID 17458441) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is azetidin-1-yl-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(1-methylindol-3-yl)methanone
PubChem CID17458441
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Nameazetidin-1-yl-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-14-9-11(13(16)15-7-4-8-15)10-5-2-3-6-12(10)14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyQMSBSVOORRUTQG-UHFFFAOYSA-N
XLogP2.02
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
(4-hydroxy-4-methylazepan-1-yl)-(1-methylindol-3-yl)methanone
CID 107406447
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(1-methylindol-3-yl)methanone?
The IUPAC name of azetidin-1-yl-(1-methylindol-3-yl)methanone (CID 17458441) is azetidin-1-yl-(1-methylindol-3-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(1-methylindol-3-yl)methanone?
The canonical SMILES for azetidin-1-yl-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCC2)c2ccccc21.
What is the InChIKey of azetidin-1-yl-(1-methylindol-3-yl)methanone?
The InChIKey is QMSBSVOORRUTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-9-11(13(16)15-7-4-8-15)10-5-2-3-6-12(10)14/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of azetidin-1-yl-(1-methylindol-3-yl)methanone?
azetidin-1-yl-(1-methylindol-3-yl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 17458441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).