[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate

C10H19NO — CID 134300094

IUPAC[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate
SMILESC/C=C(/C)O/C(=N\C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7-8(2)12-9(11-6)10(3,4)5/h7H,1-6H3/b8-7-,11-9-
InChIKeyUTEXKVIXBDMVTP-JCBKOVKPSA-N
MW169.27 g/mol
LogP3.00
Rot. Bonds1

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

[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate (PubChem CID 134300094) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate
PubChem CID134300094
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate
SMILESC/C=C(/C)O/C(=N\C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-7-8(2)12-9(11-6)10(3,4)5/h7H,1-6H3/b8-7-,11-9-
InChIKeyUTEXKVIXBDMVTP-JCBKOVKPSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.00
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,2,2-trimethylpropanimidate 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 [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate?
The IUPAC name of [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate (CID 134300094) is [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate.
What is the SMILES notation for [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate?
The canonical SMILES for [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate is C/C=C(/C)O/C(=N\C)C(C)(C)C.
What is the InChIKey of [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate?
The InChIKey is UTEXKVIXBDMVTP-JCBKOVKPSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-8(2)12-9(11-6)10(3,4)5/h7H,1-6H3/b8-7-,11-9-.
What are the key properties of [(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate?
[(Z)-but-2-en-2-yl] N,2,2-trimethylpropanimidate has a molecular weight of 169.27 g/mol, XLogP of 3.00, 1 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,2,2-trimethylpropanimidate is sourced from PubChem (CID 134300094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).