(Z)-4-methoxy-4-phenylbut-3-enenitrile

C11H11NO — CID 13065937

IUPAC(Z)-4-methoxy-4-phenylbut-3-enenitrile
SMILESCO/C(=C\CC#N)c1ccccc1
InChIInChI=1S/C11H11NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8H,5H2,1H3/b11-8-
InChIKeyWTEYKONSHWXUQS-FLIBITNWSA-N
MW173.21 g/mol
LogP2.59
Rot. Bonds3

About (Z)-4-methoxy-4-phenylbut-3-enenitrile

(Z)-4-methoxy-4-phenylbut-3-enenitrile (PubChem CID 13065937) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (Z)-4-methoxy-4-phenylbut-3-enenitrile.

Molecular Properties

Compound Name(Z)-4-methoxy-4-phenylbut-3-enenitrile
PubChem CID13065937
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(Z)-4-methoxy-4-phenylbut-3-enenitrile
SMILESCO/C(=C\CC#N)c1ccccc1
InChIInChI=1S/C11H11NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8H,5H2,1H3/b11-8-
InChIKeyWTEYKONSHWXUQS-FLIBITNWSA-N
XLogP2.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxybut-1-enylbenzene
CID 69305429
[(Z)-3-methoxy-3-phenylprop-2-enyl]-trimethylsilane
CID 134979100
(Z)-4-methoxy-4-phenylbut-3-ene-1,1,1-triamine
CID 163923579
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
(Z)-7-methoxy-7-phenylhept-6-en-2-one
CID 100946069
(4Z)-5-methoxy-5-phenyl-3-(trifluoromethyl)penta-2,4-dienenitrile
CID 134849106
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
(E)-3-phenoxy-3-phenylprop-2-enenitrile
CID 66560639
(4-ethylidene-1,3-dimethoxyhepta-1,5-dienyl)benzene
CID 123282450
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
2-[(Z)-2-methoxy-2-phenylethenyl]aniline
CID 70402722

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-4-phenylbut-3-enenitrile?
The IUPAC name of (Z)-4-methoxy-4-phenylbut-3-enenitrile (CID 13065937) is (Z)-4-methoxy-4-phenylbut-3-enenitrile.
What is the SMILES notation for (Z)-4-methoxy-4-phenylbut-3-enenitrile?
The canonical SMILES for (Z)-4-methoxy-4-phenylbut-3-enenitrile is CO/C(=C\CC#N)c1ccccc1.
What is the InChIKey of (Z)-4-methoxy-4-phenylbut-3-enenitrile?
The InChIKey is WTEYKONSHWXUQS-FLIBITNWSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-8H,5H2,1H3/b11-8-.
What are the key properties of (Z)-4-methoxy-4-phenylbut-3-enenitrile?
(Z)-4-methoxy-4-phenylbut-3-enenitrile has a molecular weight of 173.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-4-phenylbut-3-enenitrile is sourced from PubChem (CID 13065937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).