4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol

C20H22N2O2 — CID 142170204

IUPAC4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol
SMILESCO.[H]/N=C1\CC(C=O)N(C(=C)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H18N2O.CH4O/c1-14(21-12-18(20)11-19(21)13-22)15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-2/h2-10,13,19-20H,1,11-12H2;2H,1H3/b20-18+;
InChIKeyXIXCKASXIJNGMC-KPJFUTMLSA-N
MW322.41 g/mol
LogP3.23
Rot. Bonds4

About 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol

4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol (PubChem CID 142170204) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol
PubChem CID142170204
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol
SMILESCO.[H]/N=C1\CC(C=O)N(C(=C)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C19H18N2O.CH4O/c1-14(21-12-18(20)11-19(21)13-22)15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-2/h2-10,13,19-20H,1,11-12H2;2H,1H3/b20-18+;
InChIKeyXIXCKASXIJNGMC-KPJFUTMLSA-N
XLogP3.23
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol?
The IUPAC name of 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol (CID 142170204) is 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol.
What is the SMILES notation for 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol?
The canonical SMILES for 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol is CO.[H]/N=C1\CC(C=O)N(C(=C)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol?
The InChIKey is XIXCKASXIJNGMC-KPJFUTMLSA-N. The full InChI is InChI=1S/C19H18N2O.CH4O/c1-14(21-12-18(20)11-19(21)13-22)15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-2/h2-10,13,19-20H,1,11-12H2;2H,1H3/b20-18+;.
What are the key properties of 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol?
4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol has a molecular weight of 322.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-[1-(4-phenylphenyl)ethenyl]pyrrolidine-2-carbaldehyde;methanol is sourced from PubChem (CID 142170204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).