N'-(3-methoxyprop-1-enyl)methanimidamide

C5H10N2O — CID 123948301

IUPACN'-(3-methoxyprop-1-enyl)methanimidamide
SMILESCOCC=C/N=C/N
InChIInChI=1S/C5H10N2O/c1-8-4-2-3-7-5-6/h2-3,5H,4H2,1H3,(H2,6,7)
InChIKeyMUVLGBZMGPFHSO-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.13
Rot. Bonds3

About N'-(3-methoxyprop-1-enyl)methanimidamide

N'-(3-methoxyprop-1-enyl)methanimidamide (PubChem CID 123948301) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-(3-methoxyprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methoxyprop-1-enyl)methanimidamide
PubChem CID123948301
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN'-(3-methoxyprop-1-enyl)methanimidamide
SMILESCOCC=C/N=C/N
InChIInChI=1S/C5H10N2O/c1-8-4-2-3-7-5-6/h2-3,5H,4H2,1H3,(H2,6,7)
InChIKeyMUVLGBZMGPFHSO-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.13
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'}

Analyze N'-(3-methoxyprop-1-enyl)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 N'-(3-methoxyprop-1-enyl)methanimidamide?
The IUPAC name of N'-(3-methoxyprop-1-enyl)methanimidamide (CID 123948301) is N'-(3-methoxyprop-1-enyl)methanimidamide.
What is the SMILES notation for N'-(3-methoxyprop-1-enyl)methanimidamide?
The canonical SMILES for N'-(3-methoxyprop-1-enyl)methanimidamide is COCC=C/N=C/N.
What is the InChIKey of N'-(3-methoxyprop-1-enyl)methanimidamide?
The InChIKey is MUVLGBZMGPFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-8-4-2-3-7-5-6/h2-3,5H,4H2,1H3,(H2,6,7).
What are the key properties of N'-(3-methoxyprop-1-enyl)methanimidamide?
N'-(3-methoxyprop-1-enyl)methanimidamide has a molecular weight of 114.15 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyprop-1-enyl)methanimidamide is sourced from PubChem (CID 123948301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).