(Z)-3-(3-cyanophenyl)prop-2-enoate

C10H6NO2- — CID 86306265

IUPAC(Z)-3-(3-cyanophenyl)prop-2-enoate
SMILESN#Cc1cccc(/C=C\C(=O)[O-])c1
InChIInChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/p-1/b5-4-
InChIKeyWEYFZKRRQZYAJI-PLNGDYQASA-M
MW172.16 g/mol
LogP0.32
Rot. Bonds2

About (Z)-3-(3-cyanophenyl)prop-2-enoate

(Z)-3-(3-cyanophenyl)prop-2-enoate (PubChem CID 86306265) has the molecular formula C10H6NO2- and a molecular weight of 172.16 g/mol. Its IUPAC name is (Z)-3-(3-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-3-(3-cyanophenyl)prop-2-enoate
PubChem CID86306265
Molecular FormulaC10H6NO2-
Molecular Weight172.16 g/mol
Exact Mass172.04
IUPAC Name(Z)-3-(3-cyanophenyl)prop-2-enoate
SMILESN#Cc1cccc(/C=C\C(=O)[O-])c1
InChIInChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/p-1/b5-4-
InChIKeyWEYFZKRRQZYAJI-PLNGDYQASA-M
XLogP0.32
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
3-[(Z)-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 54607419
3-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 75459966
propyl 3-(3-cyanophenyl)prop-2-enoate
CID 112727938
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
3-[(1E)-3-(trifluoromethyl)buta-1,3-dienyl]benzonitrile
CID 89319358
3-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzonitrile
CID 25468290
3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76939981
(E)-3-(3-cyanophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43428090
diazanium bis((E)-3-(3-bromophenyl)prop-2-enoate)
CID 139145618
(E)-3-(3-cyanophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884334
2-[3-(3-cyanophenyl)prop-2-enoyl-methylamino]propanoic acid
CID 76947167

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-cyanophenyl)prop-2-enoate?
The IUPAC name of (Z)-3-(3-cyanophenyl)prop-2-enoate (CID 86306265) is (Z)-3-(3-cyanophenyl)prop-2-enoate.
What is the SMILES notation for (Z)-3-(3-cyanophenyl)prop-2-enoate?
The canonical SMILES for (Z)-3-(3-cyanophenyl)prop-2-enoate is N#Cc1cccc(/C=C\C(=O)[O-])c1.
What is the InChIKey of (Z)-3-(3-cyanophenyl)prop-2-enoate?
The InChIKey is WEYFZKRRQZYAJI-PLNGDYQASA-M. The full InChI is InChI=1S/C10H7NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-6H,(H,12,13)/p-1/b5-4-.
What are the key properties of (Z)-3-(3-cyanophenyl)prop-2-enoate?
(Z)-3-(3-cyanophenyl)prop-2-enoate has a molecular weight of 172.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 86306265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).