2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile

C14H13N3O — CID 171512067

IUPAC2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1CN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C14H13N3O/c15-6-5-10-8-17(9-10)14(18)12-7-16-13-4-2-1-3-11(12)13/h1-4,7,10,16H,5,8-9H2
InChIKeyNCYSOVSSRURVDB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds2

About 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile

2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile (PubChem CID 171512067) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile
PubChem CID171512067
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1CN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C14H13N3O/c15-6-5-10-8-17(9-10)14(18)12-7-16-13-4-2-1-3-11(12)13/h1-4,7,10,16H,5,8-9H2
InChIKeyNCYSOVSSRURVDB-UHFFFAOYSA-N
XLogP2.15
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
6-[1-(1H-indole-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248812
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
[9-hydroxy-7-(1H-indole-3-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1H-indol-3-yl)methanone
CID 39378328
(1S,9R)-11-(1H-indole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 51896488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile (CID 171512067) is 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile is N#CCC1CN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile?
The InChIKey is NCYSOVSSRURVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-6-5-10-8-17(9-10)14(18)12-7-16-13-4-2-1-3-11(12)13/h1-4,7,10,16H,5,8-9H2.
What are the key properties of 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile?
2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indole-3-carbonyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 171512067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).