methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate

C6H10N2O — CID 176972059

IUPACmethyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
SMILESC=C/C(=N\C(=C)N)OC
InChIInChI=1S/C6H10N2O/c1-4-6(9-3)8-5(2)7/h4H,1-2,7H2,3H3/b8-6+
InChIKeyISDDXKCRUBEVIQ-SOFGYWHQSA-N
MW126.16 g/mol
LogP0.65
Rot. Bonds2

About methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate

methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate (PubChem CID 176972059) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate.

Molecular Properties

Compound Namemethyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
PubChem CID176972059
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
SMILESC=C/C(=N\C(=C)N)OC
InChIInChI=1S/C6H10N2O/c1-4-6(9-3)8-5(2)7/h4H,1-2,7H2,3H3/b8-6+
InChIKeyISDDXKCRUBEVIQ-SOFGYWHQSA-N
XLogP0.65
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
(3Z)-4-bromo-3-methoxyhexa-1,3,5-trien-2-amine
CID 166130604
CID 153340079
CID 153340079
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 144610850
methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
CID 166894690
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
ethyl N-ethenylprop-2-enimidate
CID 143813400
(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
CID 166130684
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate?
The IUPAC name of methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate (CID 176972059) is methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate.
What is the SMILES notation for methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate?
The canonical SMILES for methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate is C=C/C(=N\C(=C)N)OC.
What is the InChIKey of methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate?
The InChIKey is ISDDXKCRUBEVIQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-6(9-3)8-5(2)7/h4H,1-2,7H2,3H3/b8-6+.
What are the key properties of methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate?
methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate has a molecular weight of 126.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate is sourced from PubChem (CID 176972059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).