methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate

C10H17NO2 — CID 175435501

IUPACmethyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
SMILESCOC(=O)CC1CC2CNCC2C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)4-7-2-8-5-11-6-9(8)3-7/h7-9,11H,2-6H2,1H3
InChIKeyBJWMVDQOVCJIIF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds2

About methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate

methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate (PubChem CID 175435501) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
PubChem CID175435501
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
SMILESCOC(=O)CC1CC2CNCC2C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)4-7-2-8-5-11-6-9(8)3-7/h7-9,11H,2-6H2,1H3
InChIKeyBJWMVDQOVCJIIF-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate?
The IUPAC name of methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate (CID 175435501) is methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate?
The canonical SMILES for methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate is COC(=O)CC1CC2CNCC2C1.
What is the InChIKey of methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate?
The InChIKey is BJWMVDQOVCJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)4-7-2-8-5-11-6-9(8)3-7/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate?
methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate has a molecular weight of 183.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate is sourced from PubChem (CID 175435501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).