methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate

C10H13NO3 — CID 24975517

IUPACmethyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate
SMILESCOC(=O)CC12CC=CN1C(=O)CC2
InChIInChI=1S/C10H13NO3/c1-14-9(13)7-10-4-2-6-11(10)8(12)3-5-10/h2,6H,3-5,7H2,1H3
InChIKeyNYBAJSPLUBTHJL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.83
Rot. Bonds2

About methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate

methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate (PubChem CID 24975517) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate
PubChem CID24975517
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate
SMILESCOC(=O)CC12CC=CN1C(=O)CC2
InChIInChI=1S/C10H13NO3/c1-14-9(13)7-10-4-2-6-11(10)8(12)3-5-10/h2,6H,3-5,7H2,1H3
InChIKeyNYBAJSPLUBTHJL-UHFFFAOYSA-N
XLogP0.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate (CID 24975517) is methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate is COC(=O)CC12CC=CN1C(=O)CC2.
What is the InChIKey of methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate?
The InChIKey is NYBAJSPLUBTHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9(13)7-10-4-2-6-11(10)8(12)3-5-10/h2,6H,3-5,7H2,1H3.
What are the key properties of methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate?
methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate has a molecular weight of 195.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-2,7-dihydro-1H-pyrrolizin-8-yl)acetate is sourced from PubChem (CID 24975517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).