[(E)-prop-1-enyl] N-ethylmethanimidate

C6H11NO — CID 143570970

IUPAC[(E)-prop-1-enyl] N-ethylmethanimidate
SMILESC/C=C/O/C=N/CC
InChIInChI=1S/C6H11NO/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyBHLLNGAHPHCAGM-TWTPFVCWSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds3

About [(E)-prop-1-enyl] N-ethylmethanimidate

[(E)-prop-1-enyl] N-ethylmethanimidate (PubChem CID 143570970) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(E)-prop-1-enyl] N-ethylmethanimidate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] N-ethylmethanimidate
PubChem CID143570970
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(E)-prop-1-enyl] N-ethylmethanimidate
SMILESC/C=C/O/C=N/CC
InChIInChI=1S/C6H11NO/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+
InChIKeyBHLLNGAHPHCAGM-TWTPFVCWSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
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 [(E)-prop-1-enyl] N-ethylmethanimidate 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 [(E)-prop-1-enyl] N-ethylmethanimidate?
The IUPAC name of [(E)-prop-1-enyl] N-ethylmethanimidate (CID 143570970) is [(E)-prop-1-enyl] N-ethylmethanimidate.
What is the SMILES notation for [(E)-prop-1-enyl] N-ethylmethanimidate?
The canonical SMILES for [(E)-prop-1-enyl] N-ethylmethanimidate is C/C=C/O/C=N/CC.
What is the InChIKey of [(E)-prop-1-enyl] N-ethylmethanimidate?
The InChIKey is BHLLNGAHPHCAGM-TWTPFVCWSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3/b5-3+,7-6+.
What are the key properties of [(E)-prop-1-enyl] N-ethylmethanimidate?
[(E)-prop-1-enyl] N-ethylmethanimidate has a molecular weight of 113.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] N-ethylmethanimidate is sourced from PubChem (CID 143570970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).