methyl N-[(E)-hex-2-en-2-yl]ethanimidate

C9H17NO — CID 170266913

IUPACmethyl N-[(E)-hex-2-en-2-yl]ethanimidate
SMILESCCC/C=C(C)/N=C(\C)OC
InChIInChI=1S/C9H17NO/c1-5-6-7-8(2)10-9(3)11-4/h7H,5-6H2,1-4H3/b8-7+,10-9+
InChIKeyITAZCPFLMIDEMD-XBLVEGMJSA-N
MW155.24 g/mol
LogP2.76
Rot. Bonds3

About methyl N-[(E)-hex-2-en-2-yl]ethanimidate

methyl N-[(E)-hex-2-en-2-yl]ethanimidate (PubChem CID 170266913) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is methyl N-[(E)-hex-2-en-2-yl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[(E)-hex-2-en-2-yl]ethanimidate
PubChem CID170266913
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namemethyl N-[(E)-hex-2-en-2-yl]ethanimidate
SMILESCCC/C=C(C)/N=C(\C)OC
InChIInChI=1S/C9H17NO/c1-5-6-7-8(2)10-9(3)11-4/h7H,5-6H2,1-4H3/b8-7+,10-9+
InChIKeyITAZCPFLMIDEMD-XBLVEGMJSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-hex-2-en-2-yl]ethanimidate?
The IUPAC name of methyl N-[(E)-hex-2-en-2-yl]ethanimidate (CID 170266913) is methyl N-[(E)-hex-2-en-2-yl]ethanimidate.
What is the SMILES notation for methyl N-[(E)-hex-2-en-2-yl]ethanimidate?
The canonical SMILES for methyl N-[(E)-hex-2-en-2-yl]ethanimidate is CCC/C=C(C)/N=C(\C)OC.
What is the InChIKey of methyl N-[(E)-hex-2-en-2-yl]ethanimidate?
The InChIKey is ITAZCPFLMIDEMD-XBLVEGMJSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-8(2)10-9(3)11-4/h7H,5-6H2,1-4H3/b8-7+,10-9+.
What are the key properties of methyl N-[(E)-hex-2-en-2-yl]ethanimidate?
methyl N-[(E)-hex-2-en-2-yl]ethanimidate has a molecular weight of 155.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-hex-2-en-2-yl]ethanimidate is sourced from PubChem (CID 170266913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).