1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one

C19H26N2O2 — CID 166318295

IUPAC1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)C(C(=O)N1CC(c2ccccc2)C1)N1CCCC1=O
InChIInChI=1S/C19H26N2O2/c1-19(2,3)17(21-11-7-10-16(21)22)18(23)20-12-15(13-20)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyUGAMIOYEKUDTOE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.65
Rot. Bonds3

About 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one

1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one (PubChem CID 166318295) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one
PubChem CID166318295
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)C(C(=O)N1CC(c2ccccc2)C1)N1CCCC1=O
InChIInChI=1S/C19H26N2O2/c1-19(2,3)17(21-11-7-10-16(21)22)18(23)20-12-15(13-20)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyUGAMIOYEKUDTOE-UHFFFAOYSA-N
XLogP2.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one (CID 166318295) is 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one is CC(C)(C)C(C(=O)N1CC(c2ccccc2)C1)N1CCCC1=O.
What is the InChIKey of 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one?
The InChIKey is UGAMIOYEKUDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)17(21-11-7-10-16(21)22)18(23)20-12-15(13-20)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3.
What are the key properties of 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one?
1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-1-oxo-1-(3-phenylazetidin-1-yl)butan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 166318295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).