N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide

C6H10N2O — CID 118972807

IUPACN-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C/OC
InChIInChI=1S/C6H10N2O/c1-6(8-5-7)3-4-9-2/h3-5,7H,1-2H3/b4-3+,7-5+,8-6+
InChIKeyFWOBYZFUSLJNFG-OKWWDJPNSA-N
MW126.16 g/mol
LogP1.21
Rot. Bonds3

About N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide

N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide (PubChem CID 118972807) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide
PubChem CID118972807
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C/OC
InChIInChI=1S/C6H10N2O/c1-6(8-5-7)3-4-9-2/h3-5,7H,1-2H3/b4-3+,7-5+,8-6+
InChIKeyFWOBYZFUSLJNFG-OKWWDJPNSA-N
XLogP1.21
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-4-methoxybut-3-en-2-ylidene]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-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide?
The IUPAC name of N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide (CID 118972807) is N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide?
The canonical SMILES for N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide is [H]/N=C/N=C(C)/C=C/OC.
What is the InChIKey of N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide?
The InChIKey is FWOBYZFUSLJNFG-OKWWDJPNSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(8-5-7)3-4-9-2/h3-5,7H,1-2H3/b4-3+,7-5+,8-6+.
What are the key properties of N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide?
N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide has a molecular weight of 126.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methoxybut-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 118972807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).