(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one

C10H15NO — CID 167718207

IUPAC(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one
SMILESO=C1CC2(C1)C[C@H]1CNC[C@H]1C2
InChIInChI=1S/C10H15NO/c12-9-3-10(4-9)1-7-5-11-6-8(7)2-10/h7-8,11H,1-6H2/t7-,8+
InChIKeyMLTLRHDDXIWITN-OCAPTIKFSA-N
MW165.24 g/mol
LogP0.97
Rot. Bonds

About (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one

(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one (PubChem CID 167718207) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one.

Molecular Properties

Compound Name(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one
PubChem CID167718207
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one
SMILESO=C1CC2(C1)C[C@H]1CNC[C@H]1C2
InChIInChI=1S/C10H15NO/c12-9-3-10(4-9)1-7-5-11-6-8(7)2-10/h7-8,11H,1-6H2/t7-,8+
InChIKeyMLTLRHDDXIWITN-OCAPTIKFSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one with MolForge

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Related Compounds

8-hydroxy-6-azaspiro[3.5]nonan-2-one;hydrochloride
CID 170901669
7-oxaspiro[3.5]nonan-2-one
CID 67451909
6-(aminomethoxymethyl)spiro[3.3]heptan-2-one
CID 143443700
(1R,5S)-spiro[bicyclo[3.2.0]heptane-3,4'-pyrrolidine]-2'-one
CID 59093997
spiro[3.5]nonane-2,7-dione
CID 130028978
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974
3,3,4,4-tetrafluorocyclopentan-1-one
CID 89251149
5-fluoro-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115020913
2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
CID 57476085
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 50990621
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
CID 54029352

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one?
The IUPAC name of (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one (CID 167718207) is (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one.
What is the SMILES notation for (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one?
The canonical SMILES for (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one is O=C1CC2(C1)C[C@H]1CNC[C@H]1C2.
What is the InChIKey of (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one?
The InChIKey is MLTLRHDDXIWITN-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H15NO/c12-9-3-10(4-9)1-7-5-11-6-8(7)2-10/h7-8,11H,1-6H2/t7-,8+.
What are the key properties of (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one?
(3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one has a molecular weight of 165.24 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-spiro[2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,3'-cyclobutane]-1'-one is sourced from PubChem (CID 167718207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).