(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile

C23H24N2O2 — CID 59080156

IUPAC(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile
SMILESCCN(C)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C)C#N)C=C(C)O1)C=C2C
InChIInChI=1S/C23H24N2O2/c1-6-25(5)19-7-8-22-15(2)9-20(27-23(22)12-19)13-21-11-18(16(3)14-24)10-17(4)26-21/h7-13H,6H2,1-5H3/b18-16-,20-13+
InChIKeyOWQQOBKNYWSCQM-KLVDMUDZSA-N
MW360.46 g/mol
LogP5.48
Rot. Bonds3

About (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile

(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile (PubChem CID 59080156) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile.

Molecular Properties

Compound Name(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile
PubChem CID59080156
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile
SMILESCCN(C)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C)C#N)C=C(C)O1)C=C2C
InChIInChI=1S/C23H24N2O2/c1-6-25(5)19-7-8-22-15(2)9-20(27-23(22)12-19)13-21-11-18(16(3)14-24)10-17(4)26-21/h7-13H,6H2,1-5H3/b18-16-,20-13+
InChIKeyOWQQOBKNYWSCQM-KLVDMUDZSA-N
XLogP5.48
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile?
The IUPAC name of (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile (CID 59080156) is (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile.
What is the SMILES notation for (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile?
The canonical SMILES for (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile is CCN(C)c1ccc2c(c1)O/C(=C/C1=C/C(=C(/C)C#N)C=C(C)O1)C=C2C.
What is the InChIKey of (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile?
The InChIKey is OWQQOBKNYWSCQM-KLVDMUDZSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-6-25(5)19-7-8-22-15(2)9-20(27-23(22)12-19)13-21-11-18(16(3)14-24)10-17(4)26-21/h7-13H,6H2,1-5H3/b18-16-,20-13+.
What are the key properties of (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile?
(2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile has a molecular weight of 360.46 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[(E)-[7-[ethyl(methyl)amino]-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile is sourced from PubChem (CID 59080156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).