methyl (Z)-N-ethenyl-2-methylbut-2-enimidate

C8H13NO — CID 143178409

IUPACmethyl (Z)-N-ethenyl-2-methylbut-2-enimidate
SMILESC=C/N=C(OC)/C(C)=C\C
InChIInChI=1S/C8H13NO/c1-5-7(3)8(10-4)9-6-2/h5-6H,2H2,1,3-4H3/b7-5-,9-8-
InChIKeyTULFPBWVMLOEAG-PJHABFGRSA-N
MW139.20 g/mol
LogP2.14
Rot. Bonds2

About methyl (Z)-N-ethenyl-2-methylbut-2-enimidate

methyl (Z)-N-ethenyl-2-methylbut-2-enimidate (PubChem CID 143178409) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is methyl (Z)-N-ethenyl-2-methylbut-2-enimidate.

Molecular Properties

Compound Namemethyl (Z)-N-ethenyl-2-methylbut-2-enimidate
PubChem CID143178409
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namemethyl (Z)-N-ethenyl-2-methylbut-2-enimidate
SMILESC=C/N=C(OC)/C(C)=C\C
InChIInChI=1S/C8H13NO/c1-5-7(3)8(10-4)9-6-2/h5-6H,2H2,1,3-4H3/b7-5-,9-8-
InChIKeyTULFPBWVMLOEAG-PJHABFGRSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.14
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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Related Compounds

methyl (E)-2-amino-N-ethenylbut-2-enimidate
CID 143656646
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
ethane;ethenyl N-ethenylethanimidate
CID 143602013
N'-ethenyl-N-methoxy-2-methylpropanimidamide
CID 91490081
phenyl N-ethenyl-2-methylidene-3-oxobutanimidate
CID 143860772
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
CID 166894690
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 142072925
(5Z)-N-ethenyl-2-methylhepta-2,5-dien-4-imine
CID 143053895
acetaldehyde;methane;methyl acetate
CID 157361598

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-N-ethenyl-2-methylbut-2-enimidate?
The IUPAC name of methyl (Z)-N-ethenyl-2-methylbut-2-enimidate (CID 143178409) is methyl (Z)-N-ethenyl-2-methylbut-2-enimidate.
What is the SMILES notation for methyl (Z)-N-ethenyl-2-methylbut-2-enimidate?
The canonical SMILES for methyl (Z)-N-ethenyl-2-methylbut-2-enimidate is C=C/N=C(OC)/C(C)=C\C.
What is the InChIKey of methyl (Z)-N-ethenyl-2-methylbut-2-enimidate?
The InChIKey is TULFPBWVMLOEAG-PJHABFGRSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(3)8(10-4)9-6-2/h5-6H,2H2,1,3-4H3/b7-5-,9-8-.
What are the key properties of methyl (Z)-N-ethenyl-2-methylbut-2-enimidate?
methyl (Z)-N-ethenyl-2-methylbut-2-enimidate has a molecular weight of 139.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-N-ethenyl-2-methylbut-2-enimidate is sourced from PubChem (CID 143178409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).