(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone

C15H17BrN2O — CID 172674672

IUPAC(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZAXSXMVFYVAWQN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.52
Rot. Bonds2

About (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone

(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone (PubChem CID 172674672) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
PubChem CID172674672
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyZAXSXMVFYVAWQN-UHFFFAOYSA-N
XLogP3.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone (CID 172674672) is (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone is CCn1cc(C(=O)N2CC(C)C2)c2ccc(Br)cc21.
What is the InChIKey of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is ZAXSXMVFYVAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-9-13(15(19)18-7-10(2)8-18)12-5-4-11(16)6-14(12)17/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone?
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 321.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 172674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).