5-imino-1,4-diphenyl-2H-pyrrol-3-ol

C16H14N2O — CID 135402551

IUPAC5-imino-1,4-diphenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccccc1
InChIInChI=1S/C16H14N2O/c17-16-15(12-7-3-1-4-8-12)14(19)11-18(16)13-9-5-2-6-10-13/h1-10,17,19H,11H2/b17-16-
InChIKeyMHCAYZXYYWEPRH-MSUUIHNZSA-N
MW250.30 g/mol
LogP3.45
Rot. Bonds2

About 5-imino-1,4-diphenyl-2H-pyrrol-3-ol

5-imino-1,4-diphenyl-2H-pyrrol-3-ol (PubChem CID 135402551) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-imino-1,4-diphenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-1,4-diphenyl-2H-pyrrol-3-ol
PubChem CID135402551
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-imino-1,4-diphenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccccc1
InChIInChI=1S/C16H14N2O/c17-16-15(12-7-3-1-4-8-12)14(19)11-18(16)13-9-5-2-6-10-13/h1-10,17,19H,11H2/b17-16-
InChIKeyMHCAYZXYYWEPRH-MSUUIHNZSA-N
XLogP3.45
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-imino-1,4-diphenyl-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-1,4-diphenyl-2H-pyrrol-3-ol (CID 135402551) is 5-imino-1,4-diphenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-1,4-diphenyl-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-1,4-diphenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccccc1.
What is the InChIKey of 5-imino-1,4-diphenyl-2H-pyrrol-3-ol?
The InChIKey is MHCAYZXYYWEPRH-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O/c17-16-15(12-7-3-1-4-8-12)14(19)11-18(16)13-9-5-2-6-10-13/h1-10,17,19H,11H2/b17-16-.
What are the key properties of 5-imino-1,4-diphenyl-2H-pyrrol-3-ol?
5-imino-1,4-diphenyl-2H-pyrrol-3-ol has a molecular weight of 250.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,4-diphenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135402551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).