1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide

C7H11N3 — CID 118047422

IUPAC1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide
SMILESC/C=C\C(C)/N=C(/N)C#N
InChIInChI=1S/C7H11N3/c1-3-4-6(2)10-7(9)5-8/h3-4,6H,1-2H3,(H2,9,10)/b4-3-
InChIKeySVVCRMBWYACFEC-ARJAWSKDSA-N
MW137.19 g/mol
LogP0.83
Rot. Bonds2

About 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide

1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide (PubChem CID 118047422) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide.

Molecular Properties

Compound Name1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide
PubChem CID118047422
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide
SMILESC/C=C\C(C)/N=C(/N)C#N
InChIInChI=1S/C7H11N3/c1-3-4-6(2)10-7(9)5-8/h3-4,6H,1-2H3,(H2,9,10)/b4-3-
InChIKeySVVCRMBWYACFEC-ARJAWSKDSA-N
XLogP0.83
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide 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 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide?
The IUPAC name of 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide (CID 118047422) is 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide.
What is the SMILES notation for 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide?
The canonical SMILES for 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide is C/C=C\C(C)/N=C(/N)C#N.
What is the InChIKey of 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide?
The InChIKey is SVVCRMBWYACFEC-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-4-6(2)10-7(9)5-8/h3-4,6H,1-2H3,(H2,9,10)/b4-3-.
What are the key properties of 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide?
1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide has a molecular weight of 137.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide is sourced from PubChem (CID 118047422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).