6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile

C15H11NO3 — CID 162787652

IUPAC6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
SMILESCOc1ccc(/C=C/c2cc(=O)cc(C#N)o2)cc1
InChIInChI=1S/C15H11NO3/c1-18-13-5-2-11(3-6-13)4-7-14-8-12(17)9-15(10-16)19-14/h2-9H,1H3/b7-4+
InChIKeyRLNJCNDRGRWVRS-QPJJXVBHSA-N
MW253.26 g/mol
LogP2.69
Rot. Bonds3

About 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile

6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile (PubChem CID 162787652) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile.

Molecular Properties

Compound Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
PubChem CID162787652
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
SMILESCOc1ccc(/C=C/c2cc(=O)cc(C#N)o2)cc1
InChIInChI=1S/C15H11NO3/c1-18-13-5-2-11(3-6-13)4-7-14-8-12(17)9-15(10-16)19-14/h2-9H,1H3/b7-4+
InChIKeyRLNJCNDRGRWVRS-QPJJXVBHSA-N
XLogP2.69
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 12681155
4-methoxy-6-[(E)-2-(4-nitrophenyl)ethenyl]pyran-2-one
CID 158493032
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
2,6-bis[(E)-2-phenylethenyl]pyran-4-one
CID 6142827
2-amino-5-[2-(4-methoxyphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 71387303
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
CID 72747116

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile?
The IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile (CID 162787652) is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile.
What is the SMILES notation for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile?
The canonical SMILES for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile is COc1ccc(/C=C/c2cc(=O)cc(C#N)o2)cc1.
What is the InChIKey of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile?
The InChIKey is RLNJCNDRGRWVRS-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-13-5-2-11(3-6-13)4-7-14-8-12(17)9-15(10-16)19-14/h2-9H,1H3/b7-4+.
What are the key properties of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile?
6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile has a molecular weight of 253.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile is sourced from PubChem (CID 162787652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).