3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone

C13H22N2O2 — CID 115559743

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2CC3CCCC3C2)COCC1N
InChIInChI=1S/C13H22N2O2/c1-13(8-17-7-11(13)14)12(16)15-5-9-3-2-4-10(9)6-15/h9-11H,2-8,14H2,1H3
InChIKeySGNXFLXRYTWKLF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.61
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone (PubChem CID 115559743) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
PubChem CID115559743
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
SMILESCC1(C(=O)N2CC3CCCC3C2)COCC1N
InChIInChI=1S/C13H22N2O2/c1-13(8-17-7-11(13)14)12(16)15-5-9-3-2-4-10(9)6-15/h9-11H,2-8,14H2,1H3
InChIKeySGNXFLXRYTWKLF-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone (CID 115559743) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone is CC1(C(=O)N2CC3CCCC3C2)COCC1N.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone?
The InChIKey is SGNXFLXRYTWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(8-17-7-11(13)14)12(16)15-5-9-3-2-4-10(9)6-15/h9-11H,2-8,14H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115559743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).