(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide

C20H26N2O — CID 143136785

IUPAC(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
SMILESC=C/C(=C\C=C/C)C(C(N)=O)(c1ccccc1)C1CCN(C)C1
InChIInChI=1S/C20H26N2O/c1-4-6-10-16(5-2)20(19(21)23,17-11-8-7-9-12-17)18-13-14-22(3)15-18/h4-12,18H,2,13-15H2,1,3H3,(H2,21,23)/b6-4-,16-10+
InChIKeyWSPCZEZQFAOEEM-OGTPZPDLSA-N
MW310.44 g/mol
LogP3.05
Rot. Bonds6

About (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide

(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide (PubChem CID 143136785) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
PubChem CID143136785
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
SMILESC=C/C(=C\C=C/C)C(C(N)=O)(c1ccccc1)C1CCN(C)C1
InChIInChI=1S/C20H26N2O/c1-4-6-10-16(5-2)20(19(21)23,17-11-8-7-9-12-17)18-13-14-22(3)15-18/h4-12,18H,2,13-15H2,1,3H3,(H2,21,23)/b6-4-,16-10+
InChIKeyWSPCZEZQFAOEEM-OGTPZPDLSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide?
The IUPAC name of (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide (CID 143136785) is (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide.
What is the SMILES notation for (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide?
The canonical SMILES for (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide is C=C/C(=C\C=C/C)C(C(N)=O)(c1ccccc1)C1CCN(C)C1.
What is the InChIKey of (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide?
The InChIKey is WSPCZEZQFAOEEM-OGTPZPDLSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-6-10-16(5-2)20(19(21)23,17-11-8-7-9-12-17)18-13-14-22(3)15-18/h4-12,18H,2,13-15H2,1,3H3,(H2,21,23)/b6-4-,16-10+.
What are the key properties of (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide?
(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide has a molecular weight of 310.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide is sourced from PubChem (CID 143136785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).