N-prop-2-enylideneethanimidamide

C5H8N2 — CID 91263014

IUPACN-prop-2-enylideneethanimidamide
SMILES[H]/N=C(C)/N=C/C=C
InChIInChI=1S/C5H8N2/c1-3-4-7-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+
InChIKeyHKTWNYKKQMCSGU-HVUXDCMCSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds1

About N-prop-2-enylideneethanimidamide

N-prop-2-enylideneethanimidamide (PubChem CID 91263014) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound NameN-prop-2-enylideneethanimidamide
PubChem CID91263014
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC NameN-prop-2-enylideneethanimidamide
SMILES[H]/N=C(C)/N=C/C=C
InChIInChI=1S/C5H8N2/c1-3-4-7-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+
InChIKeyHKTWNYKKQMCSGU-HVUXDCMCSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enylideneethanimidamide 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-prop-2-enylideneethanimidamide?
The IUPAC name of N-prop-2-enylideneethanimidamide (CID 91263014) is N-prop-2-enylideneethanimidamide.
What is the SMILES notation for N-prop-2-enylideneethanimidamide?
The canonical SMILES for N-prop-2-enylideneethanimidamide is [H]/N=C(C)/N=C/C=C.
What is the InChIKey of N-prop-2-enylideneethanimidamide?
The InChIKey is HKTWNYKKQMCSGU-HVUXDCMCSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-4-7-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+.
What are the key properties of N-prop-2-enylideneethanimidamide?
N-prop-2-enylideneethanimidamide has a molecular weight of 96.13 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 91263014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).