(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol

C12H16N2O — CID 134987510

IUPAC(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
SMILESOC(/C=N/N1CCCC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c15-12(11-6-2-1-3-7-11)10-13-14-8-4-5-9-14/h1-3,6-7,10,12,15H,4-5,8-9H2/b13-10+
InChIKeyGERSNJHROFBLPV-JLHYYAGUSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds3

About (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol

(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol (PubChem CID 134987510) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol.

Molecular Properties

Compound Name(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
PubChem CID134987510
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
SMILESOC(/C=N/N1CCCC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c15-12(11-6-2-1-3-7-11)10-13-14-8-4-5-9-14/h1-3,6-7,10,12,15H,4-5,8-9H2/b13-10+
InChIKeyGERSNJHROFBLPV-JLHYYAGUSA-N
XLogP1.80
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-1-(2,3,4,5,6-pentafluorophenyl)-2-pyrrolidin-1-yliminoethanol
CID 134923128
1-Phenyl-3-(2,3,4,5-tetrahydropyridin-1-ium-1-yl)propan-1-ol
CID 134858640
(1S,2R,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134905620
(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
CID 134923174
(1S,2S,3E)-3-(dimethylhydrazinylidene)-2-methyl-1-phenylpropan-1-ol
CID 134975766
(3E)-2-benzyl-1,1,1-trifluoro-3-pyrrolidin-1-yliminopropan-2-ol
CID 15852813
(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
CID 15893171
2-[Methyl-(propan-2-ylideneamino)amino]-1-phenylpropan-1-ol
CID 22992579
(1S,2R)-2-[methyl-(propan-2-ylideneamino)amino]-1-phenylpropan-1-ol
CID 59094750
2-(3,4-Dihydropyrazol-2-yl)-1-phenylethanol
CID 90915117
N-methyl-3-pyrrolidin-1-ylpropan-1-imine;phenylmethanol;vanadium
CID 145472861
2-Methylimino-1-phenylethanol
CID 151158403

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol?
The IUPAC name of (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol (CID 134987510) is (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol.
What is the SMILES notation for (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol?
The canonical SMILES for (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol is OC(/C=N/N1CCCC1)c1ccccc1.
What is the InChIKey of (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol?
The InChIKey is GERSNJHROFBLPV-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-6-2-1-3-7-11)10-13-14-8-4-5-9-14/h1-3,6-7,10,12,15H,4-5,8-9H2/b13-10+.
What are the key properties of (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol?
(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol has a molecular weight of 204.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol is sourced from PubChem (CID 134987510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).