propyl ethanimidate

C5H11NO — CID 15777992

IUPACpropyl ethanimidate
SMILES[H]/N=C(\C)OCCC
InChIInChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+
InChIKeyLVZKSAYYDSKLIY-AATRIKPKSA-N
MW101.15 g/mol
LogP1.41
Rot. Bonds2

About propyl ethanimidate

propyl ethanimidate (PubChem CID 15777992) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is propyl ethanimidate.

Molecular Properties

Compound Namepropyl ethanimidate
PubChem CID15777992
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namepropyl ethanimidate
SMILES[H]/N=C(\C)OCCC
InChIInChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+
InChIKeyLVZKSAYYDSKLIY-AATRIKPKSA-N
XLogP1.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.41
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 propyl ethanimidate 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 propyl ethanimidate?
The IUPAC name of propyl ethanimidate (CID 15777992) is propyl ethanimidate.
What is the SMILES notation for propyl ethanimidate?
The canonical SMILES for propyl ethanimidate is [H]/N=C(\C)OCCC.
What is the InChIKey of propyl ethanimidate?
The InChIKey is LVZKSAYYDSKLIY-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+.
What are the key properties of propyl ethanimidate?
propyl ethanimidate has a molecular weight of 101.15 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl ethanimidate is sourced from PubChem (CID 15777992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).