(Z)-N-propylbut-2-enimidoyl cyanide

C8H12N2 — CID 154964928

IUPAC(Z)-N-propylbut-2-enimidoyl cyanide
SMILESC/C=C\C(C#N)=N\CCC
InChIInChI=1S/C8H12N2/c1-3-5-8(7-9)10-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-,10-8-
InChIKeyVSWJVZQRLGBOTG-PGNVZPTMSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds3

About (Z)-N-propylbut-2-enimidoyl cyanide

(Z)-N-propylbut-2-enimidoyl cyanide (PubChem CID 154964928) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-N-propylbut-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-N-propylbut-2-enimidoyl cyanide
PubChem CID154964928
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-N-propylbut-2-enimidoyl cyanide
SMILESC/C=C\C(C#N)=N\CCC
InChIInChI=1S/C8H12N2/c1-3-5-8(7-9)10-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-,10-8-
InChIKeyVSWJVZQRLGBOTG-PGNVZPTMSA-N
XLogP1.94
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-propylbut-2-enimidoyl cyanide?
The IUPAC name of (Z)-N-propylbut-2-enimidoyl cyanide (CID 154964928) is (Z)-N-propylbut-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-N-propylbut-2-enimidoyl cyanide?
The canonical SMILES for (Z)-N-propylbut-2-enimidoyl cyanide is C/C=C\C(C#N)=N\CCC.
What is the InChIKey of (Z)-N-propylbut-2-enimidoyl cyanide?
The InChIKey is VSWJVZQRLGBOTG-PGNVZPTMSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-8(7-9)10-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-,10-8-.
What are the key properties of (Z)-N-propylbut-2-enimidoyl cyanide?
(Z)-N-propylbut-2-enimidoyl cyanide has a molecular weight of 136.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propylbut-2-enimidoyl cyanide is sourced from PubChem (CID 154964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).