[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate

C9H17NO — CID 126692728

IUPAC[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate
SMILESCC/C(C)=C(\C)O/C(C)=N/C
InChIInChI=1S/C9H17NO/c1-6-7(2)8(3)11-9(4)10-5/h6H2,1-5H3/b8-7+,10-9+
InChIKeyMONJEQNMQYFQIS-XBLVEGMJSA-N
MW155.24 g/mol
LogP2.76
Rot. Bonds2

About [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate

[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate (PubChem CID 126692728) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate.

Molecular Properties

Compound Name[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate
PubChem CID126692728
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate
SMILESCC/C(C)=C(\C)O/C(C)=N/C
InChIInChI=1S/C9H17NO/c1-6-7(2)8(3)11-9(4)10-5/h6H2,1-5H3/b8-7+,10-9+
InChIKeyMONJEQNMQYFQIS-XBLVEGMJSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.76
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)-3-methylpent-2-en-2-yl] N-methylethanimidate 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)-3-methylpent-2-en-2-yl] N-methylethanimidate?
The IUPAC name of [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate (CID 126692728) is [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate.
What is the SMILES notation for [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate?
The canonical SMILES for [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate is CC/C(C)=C(\C)O/C(C)=N/C.
What is the InChIKey of [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate?
The InChIKey is MONJEQNMQYFQIS-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7(2)8(3)11-9(4)10-5/h6H2,1-5H3/b8-7+,10-9+.
What are the key properties of [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate?
[(E)-3-methylpent-2-en-2-yl] N-methylethanimidate has a molecular weight of 155.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylpent-2-en-2-yl] N-methylethanimidate is sourced from PubChem (CID 126692728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).