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

C14H16N2O3 — CID 940934

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCCC1
InChIInChI=1S/C14H16N2O3/c17-13(15-7-3-4-8-15)9-16-11-5-1-2-6-12(11)19-10-14(16)18/h1-2,5-6H,3-4,7-10H2
InChIKeySLWWADXNGRWGCR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.03
Rot. Bonds2

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

4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 940934) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID940934
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCCC1
InChIInChI=1S/C14H16N2O3/c17-13(15-7-3-4-8-15)9-16-11-5-1-2-6-12(11)19-10-14(16)18/h1-2,5-6H,3-4,7-10H2
InChIKeySLWWADXNGRWGCR-UHFFFAOYSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 940934) is 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccccc21)N1CCCC1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is SLWWADXNGRWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(15-7-3-4-8-15)9-16-11-5-1-2-6-12(11)19-10-14(16)18/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 260.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 940934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).