N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide

C8H11N3O — CID 164531568

IUPACN-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide
SMILESC/C(N)=C/C(C)=N/C(=O)CC#N
InChIInChI=1S/C8H11N3O/c1-6(10)5-7(2)11-8(12)3-4-9/h5H,3,10H2,1-2H3/b6-5-,11-7+
InChIKeyIKLXTNHEPYLMBB-GNLLZQBYSA-N
MW165.20 g/mol
LogP0.75
Rot. Bonds2

About N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide

N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide (PubChem CID 164531568) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide
PubChem CID164531568
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide
SMILESC/C(N)=C/C(C)=N/C(=O)CC#N
InChIInChI=1S/C8H11N3O/c1-6(10)5-7(2)11-8(12)3-4-9/h5H,3,10H2,1-2H3/b6-5-,11-7+
InChIKeyIKLXTNHEPYLMBB-GNLLZQBYSA-N
XLogP0.75
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide?
The IUPAC name of N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide (CID 164531568) is N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide.
What is the SMILES notation for N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide?
The canonical SMILES for N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide is C/C(N)=C/C(C)=N/C(=O)CC#N.
What is the InChIKey of N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide?
The InChIKey is IKLXTNHEPYLMBB-GNLLZQBYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(10)5-7(2)11-8(12)3-4-9/h5H,3,10H2,1-2H3/b6-5-,11-7+.
What are the key properties of N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide?
N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide has a molecular weight of 165.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-aminopent-3-en-2-ylidene]-2-cyanoacetamide is sourced from PubChem (CID 164531568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).