1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone

C10H18N2O — CID 130588328

IUPAC1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C10H18N2O/c1-8(13)12-5-9-3-2-4-10(9,6-11)7-12/h9H,2-7,11H2,1H3
InChIKeyZIXYIQJRJDNQSA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.59
Rot. Bonds1

About 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone

1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone (PubChem CID 130588328) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
PubChem CID130588328
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C10H18N2O/c1-8(13)12-5-9-3-2-4-10(9,6-11)7-12/h9H,2-7,11H2,1H3
InChIKeyZIXYIQJRJDNQSA-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone (CID 130588328) is 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone is CC(=O)N1CC2CCCC2(CN)C1.
What is the InChIKey of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The InChIKey is ZIXYIQJRJDNQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)12-5-9-3-2-4-10(9,6-11)7-12/h9H,2-7,11H2,1H3.
What are the key properties of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone is sourced from PubChem (CID 130588328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).