1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone

C13H14N2O — CID 158300923

IUPAC1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C2=Nc3ccccc3C2)C1
InChIInChI=1S/C13H14N2O/c1-9(16)15-7-11(8-15)13-6-10-4-2-3-5-12(10)14-13/h2-5,11H,6-8H2,1H3
InChIKeyCYWLGMNYXCNAMY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.79
Rot. Bonds1

About 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone

1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone (PubChem CID 158300923) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone
PubChem CID158300923
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C2=Nc3ccccc3C2)C1
InChIInChI=1S/C13H14N2O/c1-9(16)15-7-11(8-15)13-6-10-4-2-3-5-12(10)14-13/h2-5,11H,6-8H2,1H3
InChIKeyCYWLGMNYXCNAMY-UHFFFAOYSA-N
XLogP1.79
TPSA32.67 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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone (CID 158300923) is 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(C2=Nc3ccccc3C2)C1.
What is the InChIKey of 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone?
The InChIKey is CYWLGMNYXCNAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(16)15-7-11(8-15)13-6-10-4-2-3-5-12(10)14-13/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone?
1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone has a molecular weight of 214.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3H-indol-2-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 158300923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).