(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide

C9H9N3 — CID 162686707

IUPAC(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide
SMILESC/C=C\C(C#N)=N\C(C#N)=C/C
InChIInChI=1S/C9H9N3/c1-3-5-9(7-11)12-8(4-2)6-10/h3-5H,1-2H3/b5-3-,8-4-,12-9-
InChIKeyRNWGYZJSGYDEIJ-ANGBNQOYSA-N
MW159.19 g/mol
LogP1.95
Rot. Bonds2

About (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide

(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide (PubChem CID 162686707) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide
PubChem CID162686707
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide
SMILESC/C=C\C(C#N)=N\C(C#N)=C/C
InChIInChI=1S/C9H9N3/c1-3-5-9(7-11)12-8(4-2)6-10/h3-5H,1-2H3/b5-3-,8-4-,12-9-
InChIKeyRNWGYZJSGYDEIJ-ANGBNQOYSA-N
XLogP1.95
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide?
The IUPAC name of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide (CID 162686707) is (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide?
The canonical SMILES for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide is C/C=C\C(C#N)=N\C(C#N)=C/C.
What is the InChIKey of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide?
The InChIKey is RNWGYZJSGYDEIJ-ANGBNQOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-3-5-9(7-11)12-8(4-2)6-10/h3-5H,1-2H3/b5-3-,8-4-,12-9-.
What are the key properties of (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide?
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide has a molecular weight of 159.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide is sourced from PubChem (CID 162686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).