2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol

C12H15NO — CID 130510246

IUPAC2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1C=CCN1
InChIInChI=1S/C12H15NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-7,11-14H,8H2,1H3
InChIKeyZOIGUQLJPRPGNA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.56
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol

2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol (PubChem CID 130510246) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol
PubChem CID130510246
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1C=CCN1
InChIInChI=1S/C12H15NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-7,11-14H,8H2,1H3
InChIKeyZOIGUQLJPRPGNA-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol (CID 130510246) is 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol?
The InChIKey is ZOIGUQLJPRPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-5-2-3-6-10(9)12(14)11-7-4-8-13-11/h2-7,11-14H,8H2,1H3.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol?
2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol has a molecular weight of 189.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylphenyl)methanol is sourced from PubChem (CID 130510246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).