(Z)-2,4-dicyanopent-3-en-2-olate

C7H7N2O- — CID 164668831

IUPAC(Z)-2,4-dicyanopent-3-en-2-olate
SMILESC/C(C#N)=C/C(C)([O-])C#N
InChIInChI=1S/C7H7N2O/c1-6(4-8)3-7(2,10)5-9/h3H,1-2H3/q-1/b6-3-
InChIKeyMCTTYUWZAARXQT-UTCJRWHESA-N
MW135.15 g/mol
LogP0.10
Rot. Bonds1

About (Z)-2,4-dicyanopent-3-en-2-olate

(Z)-2,4-dicyanopent-3-en-2-olate (PubChem CID 164668831) has the molecular formula C7H7N2O- and a molecular weight of 135.15 g/mol. Its IUPAC name is (Z)-2,4-dicyanopent-3-en-2-olate.

Molecular Properties

Compound Name(Z)-2,4-dicyanopent-3-en-2-olate
PubChem CID164668831
Molecular FormulaC7H7N2O-
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name(Z)-2,4-dicyanopent-3-en-2-olate
SMILESC/C(C#N)=C/C(C)([O-])C#N
InChIInChI=1S/C7H7N2O/c1-6(4-8)3-7(2,10)5-9/h3H,1-2H3/q-1/b6-3-
InChIKeyMCTTYUWZAARXQT-UTCJRWHESA-N
XLogP0.10
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxy-2,4-dimethylpent-2-enedinitrile
CID 164668832

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4-dicyanopent-3-en-2-olate?
The IUPAC name of (Z)-2,4-dicyanopent-3-en-2-olate (CID 164668831) is (Z)-2,4-dicyanopent-3-en-2-olate.
What is the SMILES notation for (Z)-2,4-dicyanopent-3-en-2-olate?
The canonical SMILES for (Z)-2,4-dicyanopent-3-en-2-olate is C/C(C#N)=C/C(C)([O-])C#N.
What is the InChIKey of (Z)-2,4-dicyanopent-3-en-2-olate?
The InChIKey is MCTTYUWZAARXQT-UTCJRWHESA-N. The full InChI is InChI=1S/C7H7N2O/c1-6(4-8)3-7(2,10)5-9/h3H,1-2H3/q-1/b6-3-.
What are the key properties of (Z)-2,4-dicyanopent-3-en-2-olate?
(Z)-2,4-dicyanopent-3-en-2-olate has a molecular weight of 135.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4-dicyanopent-3-en-2-olate is sourced from PubChem (CID 164668831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).