1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one

C15H20N2O — CID 134791223

IUPAC1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
SMILESCC(C)CCN1CC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H20N2O/c1-11(2)7-8-17-9-15(10-17)12-5-3-4-6-13(12)16-14(15)18/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyFMMXEYOLXLIVJY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.24
Rot. Bonds3

About 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one

1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one (PubChem CID 134791223) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
PubChem CID134791223
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
SMILESCC(C)CCN1CC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H20N2O/c1-11(2)7-8-17-9-15(10-17)12-5-3-4-6-13(12)16-14(15)18/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyFMMXEYOLXLIVJY-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one?
The IUPAC name of 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one (CID 134791223) is 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one.
What is the SMILES notation for 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one?
The canonical SMILES for 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one is CC(C)CCN1CC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one?
The InChIKey is FMMXEYOLXLIVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)7-8-17-9-15(10-17)12-5-3-4-6-13(12)16-14(15)18/h3-6,11H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one?
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one is sourced from PubChem (CID 134791223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).