azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone

C13H13ClN2O — CID 141372490

IUPACazetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O/c1-15-11-4-3-10(14)7-9(11)8-12(15)13(17)16-5-2-6-16/h3-4,7-8H,2,5-6H2,1H3
InChIKeyCUJQUFOXKPXFBT-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.68
Rot. Bonds1

About azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone

azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone (PubChem CID 141372490) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
PubChem CID141372490
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Nameazetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O/c1-15-11-4-3-10(14)7-9(11)8-12(15)13(17)16-5-2-6-16/h3-4,7-8H,2,5-6H2,1H3
InChIKeyCUJQUFOXKPXFBT-UHFFFAOYSA-N
XLogP2.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
(5-chloro-1-propan-2-ylindol-2-yl)-piperidin-1-ylmethanone
CID 146604568
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
5-chloro-1-methyl-N'-(4-oxo-4-piperidin-1-ylbutanoyl)indole-2-carbohydrazide
CID 3972917
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
(5-bromospiro[indole-3,4'-piperidine]-1'-yl)-(5-chloro-1-methylindol-2-yl)methanone
CID 152540351
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290298
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
6-[3-[4-(5-chloro-1-methylindole-2-carbonyl)piperazin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
CID 59474110
2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251401
[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 172523879

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone (CID 141372490) is azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCC2)cc2cc(Cl)ccc21.
What is the InChIKey of azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone?
The InChIKey is CUJQUFOXKPXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-11-4-3-10(14)7-9(11)8-12(15)13(17)16-5-2-6-16/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone?
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone has a molecular weight of 248.71 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone is sourced from PubChem (CID 141372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).