2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

C12H20N2O4 — CID 63362469

IUPAC2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-17-9-11(15)14-4-2-3-10(14)12(16)13-5-7-18-8-6-13/h10H,2-9H2,1H3
InChIKeyBGQANBBXWVBLJP-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.52
Rot. Bonds3

About 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 63362469) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID63362469
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c1-17-9-11(15)14-4-2-3-10(14)12(16)13-5-7-18-8-6-13/h10H,2-9H2,1H3
InChIKeyBGQANBBXWVBLJP-UHFFFAOYSA-N
XLogP-0.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 63362469) is 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is COCC(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BGQANBBXWVBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-17-9-11(15)14-4-2-3-10(14)12(16)13-5-7-18-8-6-13/h10H,2-9H2,1H3.
What are the key properties of 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 256.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 63362469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).