2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

C13H17NO — CID 142588473

IUPAC2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2,15)12-9-8-11(14-12)10-6-4-3-5-7-10/h3-7,12,15H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyMLZGRSHSRSNHIS-GFCCVEGCSA-N
MW203.29 g/mol
LogP2.41
Rot. Bonds2

About 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (PubChem CID 142588473) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
PubChem CID142588473
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2ccccc2)=N1
InChIInChI=1S/C13H17NO/c1-13(2,15)12-9-8-11(14-12)10-6-4-3-5-7-10/h3-7,12,15H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyMLZGRSHSRSNHIS-GFCCVEGCSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[C-(2-fluorophenyl)-N-methylcarbonimidoyl]cyclopentan-1-ol
CID 13771616
2,2,3,3,4,4,5-Heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
CID 11396509
ST026286
CID 3251128
(r,s)-2,4,4-Trimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 13734883
(r,s)-3,3-Dimethyl-5-phenyl-3,4-dihydro-2h-pyrrol-2-ol
CID 14638033
(3-Phenyl-2H-aziren-2-yl)methanol
CID 318519
1-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-4-phenylcyclohexa-2,4-dien-1-ol
CID 68933308
5-(3,4-Diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 134425514
5-(4-Ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 134425817
tert-butyl-[2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588414
2-[(2R)-5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588419
tert-butyl-[2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy]-dimethylsilane
CID 142588459

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (CID 142588473) is 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is CC(C)(O)[C@H]1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The InChIKey is MLZGRSHSRSNHIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,15)12-9-8-11(14-12)10-6-4-3-5-7-10/h3-7,12,15H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol has a molecular weight of 203.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is sourced from PubChem (CID 142588473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).