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

C13H17NO — CID 132819999

IUPAC4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
SMILESCc1ccc(C2=NC(O)CC2(C)C)cc1
InChIInChI=1S/C13H17NO/c1-9-4-6-10(7-5-9)12-13(2,3)8-11(15)14-12/h4-7,11,15H,8H2,1-3H3
InChIKeyQALIZGXTNNNEQO-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.53
Rot. Bonds1

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

4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol (PubChem CID 132819999) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
PubChem CID132819999
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
SMILESCc1ccc(C2=NC(O)CC2(C)C)cc1
InChIInChI=1S/C13H17NO/c1-9-4-6-10(7-5-9)12-13(2,3)8-11(15)14-12/h4-7,11,15H,8H2,1-3H3
InChIKeyQALIZGXTNNNEQO-UHFFFAOYSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol?
The IUPAC name of 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol (CID 132819999) is 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol.
What is the SMILES notation for 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol?
The canonical SMILES for 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol is Cc1ccc(C2=NC(O)CC2(C)C)cc1.
What is the InChIKey of 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol?
The InChIKey is QALIZGXTNNNEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-4-6-10(7-5-9)12-13(2,3)8-11(15)14-12/h4-7,11,15H,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol?
4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol is sourced from PubChem (CID 132819999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).