2-methylprop-1-enyl methanimidate

C5H9NO — CID 143570958

IUPAC2-methylprop-1-enyl methanimidate
SMILES[H]/N=C/OC=C(C)C
InChIInChI=1S/C5H9NO/c1-5(2)3-7-4-6/h3-4,6H,1-2H3/b6-4+
InChIKeyQXOXYCWZMGVWFE-GQCTYLIASA-N
MW99.13 g/mol
LogP1.53
Rot. Bonds2

About 2-methylprop-1-enyl methanimidate

2-methylprop-1-enyl methanimidate (PubChem CID 143570958) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methylprop-1-enyl methanimidate.

Molecular Properties

Compound Name2-methylprop-1-enyl methanimidate
PubChem CID143570958
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methylprop-1-enyl methanimidate
SMILES[H]/N=C/OC=C(C)C
InChIInChI=1S/C5H9NO/c1-5(2)3-7-4-6/h3-4,6H,1-2H3/b6-4+
InChIKeyQXOXYCWZMGVWFE-GQCTYLIASA-N
XLogP1.53
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.53
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 2-methylprop-1-enyl methanimidate 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 2-methylprop-1-enyl methanimidate?
The IUPAC name of 2-methylprop-1-enyl methanimidate (CID 143570958) is 2-methylprop-1-enyl methanimidate.
What is the SMILES notation for 2-methylprop-1-enyl methanimidate?
The canonical SMILES for 2-methylprop-1-enyl methanimidate is [H]/N=C/OC=C(C)C.
What is the InChIKey of 2-methylprop-1-enyl methanimidate?
The InChIKey is QXOXYCWZMGVWFE-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)3-7-4-6/h3-4,6H,1-2H3/b6-4+.
What are the key properties of 2-methylprop-1-enyl methanimidate?
2-methylprop-1-enyl methanimidate has a molecular weight of 99.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl methanimidate is sourced from PubChem (CID 143570958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).