(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile

C12H13NO — CID 13468543

IUPAC(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
SMILESCOc1ccccc1C/C=C(/C)C#N
InChIInChI=1S/C12H13NO/c1-10(9-13)7-8-11-5-3-4-6-12(11)14-2/h3-7H,8H2,1-2H3/b10-7-
InChIKeySNHODZKXSZVUAR-YFHOEESVSA-N
MW187.24 g/mol
LogP2.71
Rot. Bonds3

About (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile

(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile (PubChem CID 13468543) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
PubChem CID13468543
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile
SMILESCOc1ccccc1C/C=C(/C)C#N
InChIInChI=1S/C12H13NO/c1-10(9-13)7-8-11-5-3-4-6-12(11)14-2/h3-7H,8H2,1-2H3/b10-7-
InChIKeySNHODZKXSZVUAR-YFHOEESVSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
CID 66982604
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
(2-(111C)methoxyphenyl)methanol
CID 59897789
ethyl 2-fluoro-4-(2-methoxyphenyl)but-2-enoate
CID 66983148
(2-methoxyphenyl)methyl selenocyanate
CID 10331260
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895
lithium (2-methoxyphenyl)methanolate
CID 139799103
2-fluoro-2-hydroxy-3-(2-methoxyphenyl)propanenitrile
CID 174958896

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile?
The IUPAC name of (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile (CID 13468543) is (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile.
What is the SMILES notation for (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile?
The canonical SMILES for (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile is COc1ccccc1C/C=C(/C)C#N.
What is the InChIKey of (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile?
The InChIKey is SNHODZKXSZVUAR-YFHOEESVSA-N. The full InChI is InChI=1S/C12H13NO/c1-10(9-13)7-8-11-5-3-4-6-12(11)14-2/h3-7H,8H2,1-2H3/b10-7-.
What are the key properties of (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile?
(Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile has a molecular weight of 187.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-methoxyphenyl)-2-methylbut-2-enenitrile is sourced from PubChem (CID 13468543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).