methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate

C10H13NO4 — CID 57306472

IUPACmethyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
SMILESCOC(=O)C(=O)N1C(=O)CC2CCCC21
InChIInChI=1S/C10H13NO4/c1-15-10(14)9(13)11-7-4-2-3-6(7)5-8(11)12/h6-7H,2-5H2,1H3
InChIKeyFTPVFWGWBAYZBS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.09
Rot. Bonds

About methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate

methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate (PubChem CID 57306472) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
PubChem CID57306472
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
SMILESCOC(=O)C(=O)N1C(=O)CC2CCCC21
InChIInChI=1S/C10H13NO4/c1-15-10(14)9(13)11-7-4-2-3-6(7)5-8(11)12/h6-7H,2-5H2,1H3
InChIKeyFTPVFWGWBAYZBS-UHFFFAOYSA-N
XLogP0.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The IUPAC name of methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate (CID 57306472) is methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate.
What is the SMILES notation for methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The canonical SMILES for methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate is COC(=O)C(=O)N1C(=O)CC2CCCC21.
What is the InChIKey of methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The InChIKey is FTPVFWGWBAYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-10(14)9(13)11-7-4-2-3-6(7)5-8(11)12/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate has a molecular weight of 211.22 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate is sourced from PubChem (CID 57306472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).