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

C15H21NO — CID 115560514

IUPAC(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CC3CCCC3C2)cc1
InChIInChI=1S/C15H21NO/c1-11(17)12-5-7-15(8-6-12)16-9-13-3-2-4-14(13)10-16/h5-8,11,13-14,17H,2-4,9-10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyDLKUDCUKQHZMII-LMWSTFAQSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds2

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

(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol (PubChem CID 115560514) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol
PubChem CID115560514
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CC3CCCC3C2)cc1
InChIInChI=1S/C15H21NO/c1-11(17)12-5-7-15(8-6-12)16-9-13-3-2-4-14(13)10-16/h5-8,11,13-14,17H,2-4,9-10H2,1H3/t11-,13?,14?/m1/s1
InChIKeyDLKUDCUKQHZMII-LMWSTFAQSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol (CID 115560514) is (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol is C[C@@H](O)c1ccc(N2CC3CCCC3C2)cc1.
What is the InChIKey of (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol?
The InChIKey is DLKUDCUKQHZMII-LMWSTFAQSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(17)12-5-7-15(8-6-12)16-9-13-3-2-4-14(13)10-16/h5-8,11,13-14,17H,2-4,9-10H2,1H3/t11-,13?,14?/m1/s1.
What are the key properties of (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol?
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol has a molecular weight of 231.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanol is sourced from PubChem (CID 115560514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).