[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone

C15H25NO — CID 156753896

IUPAC[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
SMILESC[C@@]12CCC[C@@H]1CN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H25NO/c1-15-9-5-8-13(15)10-16(11-15)14(17)12-6-3-2-4-7-12/h12-13H,2-11H2,1H3/t13-,15+/m1/s1
InChIKeyBQUSOHAYEOLABN-HIFRSBDPSA-N
MW235.37 g/mol
LogP3.22
Rot. Bonds1

About [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone

[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone (PubChem CID 156753896) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
PubChem CID156753896
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
SMILESC[C@@]12CCC[C@@H]1CN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H25NO/c1-15-9-5-8-13(15)10-16(11-15)14(17)12-6-3-2-4-7-12/h12-13H,2-11H2,1H3/t13-,15+/m1/s1
InChIKeyBQUSOHAYEOLABN-HIFRSBDPSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone?
The IUPAC name of [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone (CID 156753896) is [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone.
What is the SMILES notation for [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone?
The canonical SMILES for [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone is C[C@@]12CCC[C@@H]1CN(C(=O)C1CCCCC1)C2.
What is the InChIKey of [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone?
The InChIKey is BQUSOHAYEOLABN-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H25NO/c1-15-9-5-8-13(15)10-16(11-15)14(17)12-6-3-2-4-7-12/h12-13H,2-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone?
[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone has a molecular weight of 235.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone is sourced from PubChem (CID 156753896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).