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

C10H15NO3 — CID 57283372

IUPACmethyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CC2CCCC21
InChIInChI=1S/C10H15NO3/c1-14-10(13)6-11-8-4-2-3-7(8)5-9(11)12/h7-8H,2-6H2,1H3
InChIKeyYAGPNTJMHXVTPD-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds2

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

methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate (PubChem CID 57283372) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
PubChem CID57283372
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)CC2CCCC21
InChIInChI=1S/C10H15NO3/c1-14-10(13)6-11-8-4-2-3-7(8)5-9(11)12/h7-8H,2-6H2,1H3
InChIKeyYAGPNTJMHXVTPD-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate (CID 57283372) is methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate is COC(=O)CN1C(=O)CC2CCCC21.
What is the InChIKey of methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
The InChIKey is YAGPNTJMHXVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(13)6-11-8-4-2-3-7(8)5-9(11)12/h7-8H,2-6H2,1H3.
What are the key properties of methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate?
methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate has a molecular weight of 197.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)acetate is sourced from PubChem (CID 57283372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).