(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol

C13H18N2O — CID 134923174

IUPAC(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
SMILESOC(/C=N/N1CCCC1)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(10-12-6-2-1-3-7-12)11-14-15-8-4-5-9-15/h1-3,6-7,11,13,16H,4-5,8-10H2/b14-11+
InChIKeyYFPNNQXRGOCQEE-SDNWHVSQSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds4

About (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol

(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol (PubChem CID 134923174) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol.

Molecular Properties

Compound Name(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
PubChem CID134923174
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
SMILESOC(/C=N/N1CCCC1)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13(10-12-6-2-1-3-7-12)11-14-15-8-4-5-9-15/h1-3,6-7,11,13,16H,4-5,8-10H2/b14-11+
InChIKeyYFPNNQXRGOCQEE-SDNWHVSQSA-N
XLogP1.67
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
CID 134987510
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 14470973
(1E)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 134992753
(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol
CID 135048327
(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol
CID 135048425
(E)-2-benzyl-3,3,3-trifluoro-2-methoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10851756
(3E)-2-benzyl-1,1,1-trifluoro-3-pyrrolidin-1-yliminopropan-2-ol
CID 15852813
2-(3,4-Dihydropyrazol-2-yl)-1-phenylethanol
CID 90915117
(1Z)-1-[ethyl(methyl)hydrazinylidene]-1-phenylpropan-2-ol
CID 143898838

Frequently Asked Questions

What is the IUPAC name of (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The IUPAC name of (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol (CID 134923174) is (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol.
What is the SMILES notation for (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The canonical SMILES for (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol is OC(/C=N/N1CCCC1)Cc1ccccc1.
What is the InChIKey of (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
The InChIKey is YFPNNQXRGOCQEE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(10-12-6-2-1-3-7-12)11-14-15-8-4-5-9-15/h1-3,6-7,11,13,16H,4-5,8-10H2/b14-11+.
What are the key properties of (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol?
(3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-phenyl-3-pyrrolidin-1-yliminopropan-2-ol is sourced from PubChem (CID 134923174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).