(3S)-1-(4-aminophenyl)pyrrolidin-3-ol

C10H14N2O — CID 86323238

IUPAC(3S)-1-(4-aminophenyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC[C@H](O)C2)cc1
InChIInChI=1S/C10H14N2O/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7,11H2/t10-/m0/s1
InChIKeyQSXNLJITQBHSMT-JTQLQIEISA-N
MW178.24 g/mol
LogP0.84
Rot. Bonds1

About (3S)-1-(4-aminophenyl)pyrrolidin-3-ol

(3S)-1-(4-aminophenyl)pyrrolidin-3-ol (PubChem CID 86323238) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S)-1-(4-aminophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(4-aminophenyl)pyrrolidin-3-ol
PubChem CID86323238
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3S)-1-(4-aminophenyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC[C@H](O)C2)cc1
InChIInChI=1S/C10H14N2O/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7,11H2/t10-/m0/s1
InChIKeyQSXNLJITQBHSMT-JTQLQIEISA-N
XLogP0.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-aminophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(4-aminophenyl)pyrrolidin-3-ol (CID 86323238) is (3S)-1-(4-aminophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(4-aminophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(4-aminophenyl)pyrrolidin-3-ol is Nc1ccc(N2CC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-(4-aminophenyl)pyrrolidin-3-ol?
The InChIKey is QSXNLJITQBHSMT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7,11H2/t10-/m0/s1.
What are the key properties of (3S)-1-(4-aminophenyl)pyrrolidin-3-ol?
(3S)-1-(4-aminophenyl)pyrrolidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-aminophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 86323238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).