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

C15H20N2O2 — CID 155001254

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol
SMILESO=Nc1ccc(C(O)CN2CC3CCCC3C2)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
InChIKeySABYNPPBZURMOB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.85
Rot. Bonds4

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol (PubChem CID 155001254) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol
PubChem CID155001254
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol
SMILESO=Nc1ccc(C(O)CN2CC3CCCC3C2)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
InChIKeySABYNPPBZURMOB-UHFFFAOYSA-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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Related Compounds

2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
CID 170116951
2-[2-nitroso-2-(4-nitrosophenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155001246
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
(3aR,6aS)-2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818647
1-[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965248
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
[6-[(1S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 124786858
[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 46965260
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol (CID 155001254) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol is O=Nc1ccc(C(O)CN2CC3CCCC3C2)cc1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol?
The InChIKey is SABYNPPBZURMOB-UHFFFAOYSA-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.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol?
2-(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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol is sourced from PubChem (CID 155001254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).