methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate

C10H11NO3 — CID 132580479

IUPACmethyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate
SMILESCOC(=O)CC1CC(=O)n2cccc21
InChIInChI=1S/C10H11NO3/c1-14-10(13)6-7-5-9(12)11-4-2-3-8(7)11/h2-4,7H,5-6H2,1H3
InChIKeySDPSMCXKENUEPS-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.18
Rot. Bonds2

About methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate

methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate (PubChem CID 132580479) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate
PubChem CID132580479
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate
SMILESCOC(=O)CC1CC(=O)n2cccc21
InChIInChI=1S/C10H11NO3/c1-14-10(13)6-7-5-9(12)11-4-2-3-8(7)11/h2-4,7H,5-6H2,1H3
InChIKeySDPSMCXKENUEPS-UHFFFAOYSA-N
XLogP1.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate (CID 132580479) is methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate is COC(=O)CC1CC(=O)n2cccc21.
What is the InChIKey of methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate?
The InChIKey is SDPSMCXKENUEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)6-7-5-9(12)11-4-2-3-8(7)11/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate?
methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate has a molecular weight of 193.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1,2-dihydropyrrolizin-1-yl)acetate is sourced from PubChem (CID 132580479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).