2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol

C15H20N2O2 — CID 170116951

IUPAC2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
SMILESO=Nc1ccc(C(O)CN2C[C@H]3CCC[C@H]3C2)cc1
InChIInChI=1S/C15H20N2O2/c18-15(11-4-6-14(16-19)7-5-11)10-17-8-12-2-1-3-13(12)9-17/h4-7,12-13,15,18H,1-3,8-10H2/t12-,13+,15?
InChIKeySABYNPPBZURMOB-NNQSOWQGSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds4

About 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol

2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol (PubChem CID 170116951) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol.

Molecular Properties

Compound Name2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
PubChem CID170116951
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
SMILESO=Nc1ccc(C(O)CN2C[C@H]3CCC[C@H]3C2)cc1
InChIInChI=1S/C15H20N2O2/c18-15(11-4-6-14(16-19)7-5-11)10-17-8-12-2-1-3-13(12)9-17/h4-7,12-13,15,18H,1-3,8-10H2/t12-,13+,15?
InChIKeySABYNPPBZURMOB-NNQSOWQGSA-N
XLogP2.85
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol?
The IUPAC name of 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol (CID 170116951) is 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol.
What is the SMILES notation for 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol?
The canonical SMILES for 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol is O=Nc1ccc(C(O)CN2C[C@H]3CCC[C@H]3C2)cc1.
What is the InChIKey of 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol?
The InChIKey is SABYNPPBZURMOB-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(11-4-6-14(16-19)7-5-11)10-17-8-12-2-1-3-13(12)9-17/h4-7,12-13,15,18H,1-3,8-10H2/t12-,13+,15?.
What are the key properties of 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol?
2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol is sourced from PubChem (CID 170116951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).