(2Z)-2,3-dicyanopenta-2,4-dienoic acid

C7H4N2O2 — CID 87450183

IUPAC(2Z)-2,3-dicyanopenta-2,4-dienoic acid
SMILESC=C/C(C#N)=C(\C#N)C(=O)O
InChIInChI=1S/C7H4N2O2/c1-2-5(3-8)6(4-9)7(10)11/h2H,1H2,(H,10,11)/b6-5-
InChIKeyBQCFKYJFLJTOPU-WAYWQWQTSA-N
MW148.12 g/mol
LogP0.60
Rot. Bonds2

About (2Z)-2,3-dicyanopenta-2,4-dienoic acid

(2Z)-2,3-dicyanopenta-2,4-dienoic acid (PubChem CID 87450183) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is (2Z)-2,3-dicyanopenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-2,3-dicyanopenta-2,4-dienoic acid
PubChem CID87450183
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Name(2Z)-2,3-dicyanopenta-2,4-dienoic acid
SMILESC=C/C(C#N)=C(\C#N)C(=O)O
InChIInChI=1S/C7H4N2O2/c1-2-5(3-8)6(4-9)7(10)11/h2H,1H2,(H,10,11)/b6-5-
InChIKeyBQCFKYJFLJTOPU-WAYWQWQTSA-N
XLogP0.60
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-hexa-1,3,5-triene-1,2,3-tricarbonitrile
CID 144961491
but-2-enoic acid;2-ethenyl-3-methylpenta-2,4-dienenitrile
CID 157132961
2,3-dicyanobut-2-enoic acid
CID 172783175
prop-2-enoic acid;hexahydrate
CID 172682107
2,3-dicyanoprop-2-enoic acid;prop-2-enoic acid
CID 175098761
(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
CID 143717901
2-cyano-3-methylsulfanylbut-2-enoic acid
CID 154271821
(2Z)-2-[fluoro-(methylideneamino)methylidene]but-3-enenitrile
CID 143883028
2-methylidenebut-3-enoic acid;prop-2-enenitrile
CID 141291024
2-cyano-3-[(3-methyl-1,3-oxazolidin-2-ylidene)methyl]penta-2,4-dienoic acid
CID 173174602
buta-1,3-diene;2-methylprop-2-enenitrile;prop-2-enoic acid
CID 157263560
ethene;prop-2-enoic acid;hydrate
CID 174424399

Frequently Asked Questions

What is the IUPAC name of (2Z)-2,3-dicyanopenta-2,4-dienoic acid?
The IUPAC name of (2Z)-2,3-dicyanopenta-2,4-dienoic acid (CID 87450183) is (2Z)-2,3-dicyanopenta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-2,3-dicyanopenta-2,4-dienoic acid?
The canonical SMILES for (2Z)-2,3-dicyanopenta-2,4-dienoic acid is C=C/C(C#N)=C(\C#N)C(=O)O.
What is the InChIKey of (2Z)-2,3-dicyanopenta-2,4-dienoic acid?
The InChIKey is BQCFKYJFLJTOPU-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H4N2O2/c1-2-5(3-8)6(4-9)7(10)11/h2H,1H2,(H,10,11)/b6-5-.
What are the key properties of (2Z)-2,3-dicyanopenta-2,4-dienoic acid?
(2Z)-2,3-dicyanopenta-2,4-dienoic acid has a molecular weight of 148.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-dicyanopenta-2,4-dienoic acid is sourced from PubChem (CID 87450183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).