(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile

C15H14N2O2 — CID 143318106

IUPAC(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile
SMILESCOc1cc(/C=C(/C)C#N)c(O)cc1/C=C(/C)C#N
InChIInChI=1S/C15H14N2O2/c1-10(8-16)4-12-7-15(19-3)13(6-14(12)18)5-11(2)9-17/h4-7,18H,1-3H3/b10-4-,11-5-
InChIKeyMUSZEQXWHHXXBM-GGXLTUIBSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds3

About (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile

(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile (PubChem CID 143318106) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile
PubChem CID143318106
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile
SMILESCOc1cc(/C=C(/C)C#N)c(O)cc1/C=C(/C)C#N
InChIInChI=1S/C15H14N2O2/c1-10(8-16)4-12-7-15(19-3)13(6-14(12)18)5-11(2)9-17/h4-7,18H,1-3H3/b10-4-,11-5-
InChIKeyMUSZEQXWHHXXBM-GGXLTUIBSA-N
XLogP3.25
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxy-4-methylphenyl)-2-methylprop-2-enenitrile
CID 59062076
(Z)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enethioamide
CID 845659
ethyl (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 6515913
2-(4-bromophenyl)-3-[4-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethoxyphenyl]prop-2-enenitrile
CID 118471873
(E)-2-(3-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 126397411
(E)-3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enethioamide
CID 2236689
2-methyl-3-(2,4,5-trimethoxyphenyl)prop-2-enal
CID 79330789
butyl (E)-2-cyano-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 9447247
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-methylprop-2-enamide
CID 75268561
2-[(2-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
CID 45091628
(Z)-2-cyano-N-(3,5-dichlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 2372204
(E)-3-(2-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamide
CID 54784956

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile (CID 143318106) is (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile is COc1cc(/C=C(/C)C#N)c(O)cc1/C=C(/C)C#N.
What is the InChIKey of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile?
The InChIKey is MUSZEQXWHHXXBM-GGXLTUIBSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(8-16)4-12-7-15(19-3)13(6-14(12)18)5-11(2)9-17/h4-7,18H,1-3H3/b10-4-,11-5-.
What are the key properties of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile?
(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile has a molecular weight of 254.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]-5-hydroxy-2-methoxyphenyl]-2-methylprop-2-enenitrile is sourced from PubChem (CID 143318106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).