(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile

C7H8N2 — CID 126746073

IUPAC(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile
SMILESC=C/C(C#N)=C(\C)N=C
InChIInChI=1S/C7H8N2/c1-4-7(5-8)6(2)9-3/h4H,1,3H2,2H3/b7-6-
InChIKeySVDSRLPHJMISSY-SREVYHEPSA-N
MW120.15 g/mol
LogP1.67
Rot. Bonds2

About (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile

(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile (PubChem CID 126746073) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile
PubChem CID126746073
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile
SMILESC=C/C(C#N)=C(\C)N=C
InChIInChI=1S/C7H8N2/c1-4-7(5-8)6(2)9-3/h4H,1,3H2,2H3/b7-6-
InChIKeySVDSRLPHJMISSY-SREVYHEPSA-N
XLogP1.67
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile?
The IUPAC name of (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile (CID 126746073) is (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile.
What is the SMILES notation for (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile?
The canonical SMILES for (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile is C=C/C(C#N)=C(\C)N=C.
What is the InChIKey of (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile?
The InChIKey is SVDSRLPHJMISSY-SREVYHEPSA-N. The full InChI is InChI=1S/C7H8N2/c1-4-7(5-8)6(2)9-3/h4H,1,3H2,2H3/b7-6-.
What are the key properties of (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile?
(Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile has a molecular weight of 120.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-3-(methylideneamino)but-2-enenitrile is sourced from PubChem (CID 126746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).