[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone

C12H15NO2 — CID 59403341

IUPAC[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C12H15NO2/c14-12(11-2-1-3-15-11)8-4-9-6-13-7-10(9)5-8/h1-3,8-10,13H,4-7H2/t8?,9-,10+
InChIKeyNZYPTMVAFUKKKD-PBINXNQUSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds2

About [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone

[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone (PubChem CID 59403341) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone
PubChem CID59403341
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C12H15NO2/c14-12(11-2-1-3-15-11)8-4-9-6-13-7-10(9)5-8/h1-3,8-10,13H,4-7H2/t8?,9-,10+
InChIKeyNZYPTMVAFUKKKD-PBINXNQUSA-N
XLogP1.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone (CID 59403341) is [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone is O=C(c1ccco1)C1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone?
The InChIKey is NZYPTMVAFUKKKD-PBINXNQUSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(11-2-1-3-15-11)8-4-9-6-13-7-10(9)5-8/h1-3,8-10,13H,4-7H2/t8?,9-,10+.
What are the key properties of [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone?
[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 59403341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).