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

C11H20N2O — CID 130588327

IUPAC1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one
SMILESCCC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C11H20N2O/c1-2-10(14)13-6-9-4-3-5-11(9,7-12)8-13/h9H,2-8,12H2,1H3
InChIKeyFMNACVBWHLVCBV-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds2

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

1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one (PubChem CID 130588327) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one
PubChem CID130588327
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one
SMILESCCC(=O)N1CC2CCCC2(CN)C1
InChIInChI=1S/C11H20N2O/c1-2-10(14)13-6-9-4-3-5-11(9,7-12)8-13/h9H,2-8,12H2,1H3
InChIKeyFMNACVBWHLVCBV-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
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]propan-1-one?
The IUPAC name of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one (CID 130588327) is 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one?
The canonical SMILES for 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one is CCC(=O)N1CC2CCCC2(CN)C1.
What is the InChIKey of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one?
The InChIKey is FMNACVBWHLVCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10(14)13-6-9-4-3-5-11(9,7-12)8-13/h9H,2-8,12H2,1H3.
What are the key properties of 1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one?
1-[3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.98, 2 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]propan-1-one is sourced from PubChem (CID 130588327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).