2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol

C13H17NO — CID 105059300

IUPAC2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
SMILESCC(CO)(c1ccccc1)N1CC=CC1
InChIInChI=1S/C13H17NO/c1-13(11-15,14-9-5-6-10-14)12-7-3-2-4-8-12/h2-8,15H,9-11H2,1H3
InChIKeySUGCZVNSJZKPAG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds3

About 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol

2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol (PubChem CID 105059300) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
PubChem CID105059300
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
SMILESCC(CO)(c1ccccc1)N1CC=CC1
InChIInChI=1S/C13H17NO/c1-13(11-15,14-9-5-6-10-14)12-7-3-2-4-8-12/h2-8,15H,9-11H2,1H3
InChIKeySUGCZVNSJZKPAG-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol 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

2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
1-(1-hydroxy-2-phenylpropan-2-yl)imidazolidin-2-one
CID 105059255
2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol
CID 114271574
2-chloro-2-phenylpropan-1-ol
CID 21408065
[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 167312449
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
dichlorotitanium;bis(2-methyl-2-phenylpropan-1-ol)
CID 18688279
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
CID 123975166
CID 123975166
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol (CID 105059300) is 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol is CC(CO)(c1ccccc1)N1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol?
The InChIKey is SUGCZVNSJZKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(11-15,14-9-5-6-10-14)12-7-3-2-4-8-12/h2-8,15H,9-11H2,1H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol?
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 105059300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).