(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone

C12H13N3O — CID 65245171

IUPAC(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
SMILESNC1CN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C12H13N3O/c13-8-6-15(7-8)12(16)10-2-1-3-11-9(10)4-5-14-11/h1-5,8,14H,6-7,13H2
InChIKeyPDJMFPGOXWRLNZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.95
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone

(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 65245171) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
PubChem CID65245171
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
SMILESNC1CN(C(=O)c2cccc3[nH]ccc23)C1
InChIInChI=1S/C12H13N3O/c13-8-6-15(7-8)12(16)10-2-1-3-11-9(10)4-5-14-11/h1-5,8,14H,6-7,13H2
InChIKeyPDJMFPGOXWRLNZ-UHFFFAOYSA-N
XLogP0.95
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 110203307
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
(3S,4S)-1-(1H-indole-4-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
CID 110197910
(2S,4R)-4-hydroxy-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63857115
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone (CID 65245171) is (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone is NC1CN(C(=O)c2cccc3[nH]ccc23)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is PDJMFPGOXWRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-6-15(7-8)12(16)10-2-1-3-11-9(10)4-5-14-11/h1-5,8,14H,6-7,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone?
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 65245171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).