1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one

C15H20N2O3 — CID 170557199

IUPAC1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCN1CCCC1=O)CCO2
InChIInChI=1S/C15H20N2O3/c1-19-12-4-5-14-13(11-12)16(9-10-20-14)7-8-17-6-2-3-15(17)18/h4-5,11H,2-3,6-10H2,1H3
InChIKeyCPUMHIARMSCQBB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one

1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 170557199) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
PubChem CID170557199
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCN1CCCC1=O)CCO2
InChIInChI=1S/C15H20N2O3/c1-19-12-4-5-14-13(11-12)16(9-10-20-14)7-8-17-6-2-3-15(17)18/h4-5,11H,2-3,6-10H2,1H3
InChIKeyCPUMHIARMSCQBB-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one (CID 170557199) is 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one is COc1ccc2c(c1)N(CCN1CCCC1=O)CCO2.
What is the InChIKey of 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is CPUMHIARMSCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-12-4-5-14-13(11-12)16(9-10-20-14)7-8-17-6-2-3-15(17)18/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one?
1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 170557199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).