(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile

C15H18N2O — CID 145041542

IUPAC(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile
SMILESC=C(OC/C=C(\C#N)CNC)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-12-4-6-15(7-5-12)13(2)18-9-8-14(10-16)11-17-3/h4-8,17H,2,9,11H2,1,3H3/b14-8+
InChIKeyZHEYWIBYOOHVHP-RIYZIHGNSA-N
MW242.32 g/mol
LogP2.65
Rot. Bonds6

About (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile

(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile (PubChem CID 145041542) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile
PubChem CID145041542
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile
SMILESC=C(OC/C=C(\C#N)CNC)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O/c1-12-4-6-15(7-5-12)13(2)18-9-8-14(10-16)11-17-3/h4-8,17H,2,9,11H2,1,3H3/b14-8+
InChIKeyZHEYWIBYOOHVHP-RIYZIHGNSA-N
XLogP2.65
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
(Z)-2-(aminomethyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 101395517
ethyl (E)-2-cyano-3-[(4-methylbenzoyl)amino]prop-2-enoate
CID 35580175
ethyl (E)-3-cyano-3-(4-methylphenyl)prop-2-enoate
CID 6373114
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
N',4-dimethyl-N-[1-(methylamino)propan-2-ylidene]benzenecarboximidamide
CID 134387789
(Z)-2-methyl-4-(4-methylphenoxy)but-2-enenitrile
CID 13468551
4-(1-ethoxyethenyl)aniline
CID 90447713
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
(E)-3-aminosulfanyl-3-(4-methylphenyl)prop-2-enenitrile
CID 167292672
2-imino-N-methyl-2-(4-methylphenyl)ethanamine
CID 142977852
1-[4-(1-ethoxyethenyl)phenyl]-N-methylethanamine
CID 165469702

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile?
The IUPAC name of (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile (CID 145041542) is (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile.
What is the SMILES notation for (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile?
The canonical SMILES for (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile is C=C(OC/C=C(\C#N)CNC)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile?
The InChIKey is ZHEYWIBYOOHVHP-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-4-6-15(7-5-12)13(2)18-9-8-14(10-16)11-17-3/h4-8,17H,2,9,11H2,1,3H3/b14-8+.
What are the key properties of (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile?
(Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile has a molecular weight of 242.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylaminomethyl)-4-[1-(4-methylphenyl)ethenoxy]but-2-enenitrile is sourced from PubChem (CID 145041542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).