methyl (E)-N-ethenylhex-2-enimidate

C9H15NO — CID 143898211

IUPACmethyl (E)-N-ethenylhex-2-enimidate
SMILESC=C/N=C(/C=C/CCC)OC
InChIInChI=1S/C9H15NO/c1-4-6-7-8-9(11-3)10-5-2/h5,7-8H,2,4,6H2,1,3H3/b8-7+,10-9-
InChIKeySDNPPJUIKPRDFW-GOJKSUSPSA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds4

About methyl (E)-N-ethenylhex-2-enimidate

methyl (E)-N-ethenylhex-2-enimidate (PubChem CID 143898211) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is methyl (E)-N-ethenylhex-2-enimidate.

Molecular Properties

Compound Namemethyl (E)-N-ethenylhex-2-enimidate
PubChem CID143898211
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Namemethyl (E)-N-ethenylhex-2-enimidate
SMILESC=C/N=C(/C=C/CCC)OC
InChIInChI=1S/C9H15NO/c1-4-6-7-8-9(11-3)10-5-2/h5,7-8H,2,4,6H2,1,3H3/b8-7+,10-9-
InChIKeySDNPPJUIKPRDFW-GOJKSUSPSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
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 (E)-N-ethenylhex-2-enimidate?
The IUPAC name of methyl (E)-N-ethenylhex-2-enimidate (CID 143898211) is methyl (E)-N-ethenylhex-2-enimidate.
What is the SMILES notation for methyl (E)-N-ethenylhex-2-enimidate?
The canonical SMILES for methyl (E)-N-ethenylhex-2-enimidate is C=C/N=C(/C=C/CCC)OC.
What is the InChIKey of methyl (E)-N-ethenylhex-2-enimidate?
The InChIKey is SDNPPJUIKPRDFW-GOJKSUSPSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-7-8-9(11-3)10-5-2/h5,7-8H,2,4,6H2,1,3H3/b8-7+,10-9-.
What are the key properties of methyl (E)-N-ethenylhex-2-enimidate?
methyl (E)-N-ethenylhex-2-enimidate has a molecular weight of 153.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-N-ethenylhex-2-enimidate is sourced from PubChem (CID 143898211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).