5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol

C14H19NO — CID 132961415

IUPAC5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol
SMILESCc1ccc(C)c(C2=NC(O)CC2(C)C)c1
InChIInChI=1S/C14H19NO/c1-9-5-6-10(2)11(7-9)13-14(3,4)8-12(16)15-13/h5-7,12,16H,8H2,1-4H3
InChIKeyZZNUKVIUMLOQGU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds1

About 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol

5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol (PubChem CID 132961415) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol
PubChem CID132961415
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol
SMILESCc1ccc(C)c(C2=NC(O)CC2(C)C)c1
InChIInChI=1S/C14H19NO/c1-9-5-6-10(2)11(7-9)13-14(3,4)8-12(16)15-13/h5-7,12,16H,8H2,1-4H3
InChIKeyZZNUKVIUMLOQGU-UHFFFAOYSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
1-Phenyl-2-azaspiro[4.5]dec-1-en-3-ol
CID 132819998
4,4-Dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
CID 132819999
1-(4-Methylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961414
1-(2,5-Dimethylphenyl)-2-azaspiro[4.5]dec-1-en-3-ol
CID 132961416
[1-(3,5-Dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol
CID 18685799
2-(3,4-Dihydroisoquinolin-1-yl)ethanol
CID 20200544
3-(2-Hydroxy)ethyl 7-methyl 1-phenyl 3,4-dihydro isoquinoline
CID 20500933

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol?
The IUPAC name of 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol (CID 132961415) is 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol?
The canonical SMILES for 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol is Cc1ccc(C)c(C2=NC(O)CC2(C)C)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol?
The InChIKey is ZZNUKVIUMLOQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-6-10(2)11(7-9)13-14(3,4)8-12(16)15-13/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol?
5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-4,4-dimethyl-2,3-dihydropyrrol-2-ol is sourced from PubChem (CID 132961415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).