2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile

C15H13N3O — CID 86798853

IUPAC2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile
SMILESCOc1ccc(/C=C(/C)c2cnccn2)cc1C#N
InChIInChI=1S/C15H13N3O/c1-11(14-10-17-5-6-18-14)7-12-3-4-15(19-2)13(8-12)9-16/h3-8,10H,1-2H3/b11-7-
InChIKeyBMMQSUDUMPPMAM-XFFZJAGNSA-N
MW251.29 g/mol
LogP2.92
Rot. Bonds3

About 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile

2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile (PubChem CID 86798853) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile
PubChem CID86798853
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile
SMILESCOc1ccc(/C=C(/C)c2cnccn2)cc1C#N
InChIInChI=1S/C15H13N3O/c1-11(14-10-17-5-6-18-14)7-12-3-4-15(19-2)13(8-12)9-16/h3-8,10H,1-2H3/b11-7-
InChIKeyBMMQSUDUMPPMAM-XFFZJAGNSA-N
XLogP2.92
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-amino-2-methylprop-1-enyl)-2-methoxybenzonitrile
CID 79329259
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 5468216
2-methoxy-5-[2-methyl-3-(propan-2-ylamino)prop-1-enyl]benzonitrile
CID 79341030
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529297
2-methoxy-5-[(E)-3-(methylamino)but-1-enyl]benzonitrile
CID 103092018
2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine
CID 127265740
3-methyl-6-[(Z)-2-pyrazin-2-ylprop-1-enyl]-1,3-benzothiazol-2-one
CID 99838149
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
5-(4-aminobut-1-enyl)-2-methoxybenzonitrile
CID 170487372
5-[3-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-2-methoxybenzonitrile
CID 170801872
methyl 2-[(E)-2-(4-cyano-3-methoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylate
CID 119051361

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile (CID 86798853) is 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile is COc1ccc(/C=C(/C)c2cnccn2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile?
The InChIKey is BMMQSUDUMPPMAM-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11(14-10-17-5-6-18-14)7-12-3-4-15(19-2)13(8-12)9-16/h3-8,10H,1-2H3/b11-7-.
What are the key properties of 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile?
2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-2-pyrazin-2-ylprop-1-enyl]benzonitrile is sourced from PubChem (CID 86798853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).