1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol

C18H16N2O — CID 768812

IUPAC1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol
SMILESCn1c(-c2ccccc2)cc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C18H16N2O/c1-20-17(14-8-4-2-5-9-14)12-15(18(20)21)13-19-16-10-6-3-7-11-16/h2-13,21H,1H3/b19-13+
InChIKeyIVQFPQUZTDMEOH-CPNJWEJPSA-N
MW276.34 g/mol
LogP4.15
Rot. Bonds3

About 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol

1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol (PubChem CID 768812) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol
PubChem CID768812
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol
SMILESCn1c(-c2ccccc2)cc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C18H16N2O/c1-20-17(14-8-4-2-5-9-14)12-15(18(20)21)13-19-16-10-6-3-7-11-16/h2-13,21H,1H3/b19-13+
InChIKeyIVQFPQUZTDMEOH-CPNJWEJPSA-N
XLogP4.15
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol?
The IUPAC name of 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol (CID 768812) is 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol.
What is the SMILES notation for 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol?
The canonical SMILES for 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol is Cn1c(-c2ccccc2)cc(/C=N/c2ccccc2)c1O.
What is the InChIKey of 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol?
The InChIKey is IVQFPQUZTDMEOH-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20-17(14-8-4-2-5-9-14)12-15(18(20)21)13-19-16-10-6-3-7-11-16/h2-13,21H,1H3/b19-13+.
What are the key properties of 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol?
1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol has a molecular weight of 276.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-(phenyliminomethyl)pyrrol-2-ol is sourced from PubChem (CID 768812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).