[(Z)-but-2-en-2-yl] N-methylpropanimidate

C8H15NO — CID 142178260

IUPAC[(Z)-but-2-en-2-yl] N-methylpropanimidate
SMILESC/C=C(/C)O/C(CC)=N/C
InChIInChI=1S/C8H15NO/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3/b7-5-,9-8+
InChIKeySTKPAABGCPAAHQ-SUHGFZJFSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds2

About [(Z)-but-2-en-2-yl] N-methylpropanimidate

[(Z)-but-2-en-2-yl] N-methylpropanimidate (PubChem CID 142178260) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl] N-methylpropanimidate.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl] N-methylpropanimidate
PubChem CID142178260
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(Z)-but-2-en-2-yl] N-methylpropanimidate
SMILESC/C=C(/C)O/C(CC)=N/C
InChIInChI=1S/C8H15NO/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3/b7-5-,9-8+
InChIKeySTKPAABGCPAAHQ-SUHGFZJFSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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 [(Z)-but-2-en-2-yl] N-methylpropanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-1-en-2-yl N-methylethanimidate
CID 88965932
[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate
CID 134300094
[(E)-but-2-en-2-yl] N-methylethanimidate
CID 141985951
2,6-dimethyl-4H-1,3-oxazine
CID 142005861
prop-1-en-2-yl N,2-dimethylpropanimidate
CID 144283076
prop-1-en-2-yl N-ethylpropanimidate
CID 145439014
penta-2,3-dien-2-yl N-methylethanimidate
CID 163867601
[(E)-pent-2-en-2-yl] N-methylethanimidate
CID 164574589

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-en-2-yl] N-methylpropanimidate?
The IUPAC name of [(Z)-but-2-en-2-yl] N-methylpropanimidate (CID 142178260) is [(Z)-but-2-en-2-yl] N-methylpropanimidate.
What is the SMILES notation for [(Z)-but-2-en-2-yl] N-methylpropanimidate?
The canonical SMILES for [(Z)-but-2-en-2-yl] N-methylpropanimidate is C/C=C(/C)O/C(CC)=N/C.
What is the InChIKey of [(Z)-but-2-en-2-yl] N-methylpropanimidate?
The InChIKey is STKPAABGCPAAHQ-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(3)10-8(6-2)9-4/h5H,6H2,1-4H3/b7-5-,9-8+.
What are the key properties of [(Z)-but-2-en-2-yl] N-methylpropanimidate?
[(Z)-but-2-en-2-yl] N-methylpropanimidate has a molecular weight of 141.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl] N-methylpropanimidate is sourced from PubChem (CID 142178260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).