2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

C16H20N2O3 — CID 3225019

IUPAC2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C16H20N2O3/c1-11-5-6-14-13(9-11)18(16(20)12(2)21-14)10-15(19)17-7-3-4-8-17/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyIKRWMMCDTXSAAI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds2

About 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 3225019) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID3225019
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)O2
InChIInChI=1S/C16H20N2O3/c1-11-5-6-14-13(9-11)18(16(20)12(2)21-14)10-15(19)17-7-3-4-8-17/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyIKRWMMCDTXSAAI-UHFFFAOYSA-N
XLogP1.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 3225019) is 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)C(C)O2.
What is the InChIKey of 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is IKRWMMCDTXSAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-6-14-13(9-11)18(16(20)12(2)21-14)10-15(19)17-7-3-4-8-17/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 3225019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).