N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide

C7H12N2O — CID 130340395

IUPACN-[(Z)-2-(ethylideneamino)but-2-enyl]formamide
SMILESC/C=C(CNC=O)\N=C\C
InChIInChI=1S/C7H12N2O/c1-3-7(9-4-2)5-8-6-10/h3-4,6H,5H2,1-2H3,(H,8,10)/b7-3-,9-4+
InChIKeyWAEVGLLBSRFLLI-CITSBAIRSA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds4

About N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide

N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide (PubChem CID 130340395) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)but-2-enyl]formamide
PubChem CID130340395
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[(Z)-2-(ethylideneamino)but-2-enyl]formamide
SMILESC/C=C(CNC=O)\N=C\C
InChIInChI=1S/C7H12N2O/c1-3-7(9-4-2)5-8-6-10/h3-4,6H,5H2,1-2H3,(H,8,10)/b7-3-,9-4+
InChIKeyWAEVGLLBSRFLLI-CITSBAIRSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide 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 N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide?
The IUPAC name of N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide (CID 130340395) is N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide is C/C=C(CNC=O)\N=C\C.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide?
The InChIKey is WAEVGLLBSRFLLI-CITSBAIRSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-7(9-4-2)5-8-6-10/h3-4,6H,5H2,1-2H3,(H,8,10)/b7-3-,9-4+.
What are the key properties of N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide?
N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide has a molecular weight of 140.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)but-2-enyl]formamide is sourced from PubChem (CID 130340395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).