methyl (E)-2-amino-N-ethenylbut-2-enimidate

C7H12N2O — CID 143656646

IUPACmethyl (E)-2-amino-N-ethenylbut-2-enimidate
SMILESC=C/N=C(OC)/C(N)=C\C
InChIInChI=1S/C7H12N2O/c1-4-6(8)7(10-3)9-5-2/h4-5H,2,8H2,1,3H3/b6-4+,9-7-
InChIKeyVVRZGFFKIJNJMZ-YVRRMWDWSA-N
MW140.19 g/mol
LogP1.04
Rot. Bonds2

About methyl (E)-2-amino-N-ethenylbut-2-enimidate

methyl (E)-2-amino-N-ethenylbut-2-enimidate (PubChem CID 143656646) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl (E)-2-amino-N-ethenylbut-2-enimidate.

Molecular Properties

Compound Namemethyl (E)-2-amino-N-ethenylbut-2-enimidate
PubChem CID143656646
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl (E)-2-amino-N-ethenylbut-2-enimidate
SMILESC=C/N=C(OC)/C(N)=C\C
InChIInChI=1S/C7H12N2O/c1-4-6(8)7(10-3)9-5-2/h4-5H,2,8H2,1,3H3/b6-4+,9-7-
InChIKeyVVRZGFFKIJNJMZ-YVRRMWDWSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.04
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 (Z)-N-ethenyl-2-methylbut-2-enimidate
CID 143178409
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
bis(O-methyl carbamothioate);prop-1-ene
CID 175031330
N'-ethenyl-N-methoxy-2-methylpropanimidamide
CID 91490081
methyl (E)-2-aminobut-2-enoate
CID 19894054
(E,2E)-3-amino-2-[(methylideneamino)methylidene]pent-3-enal;methoxymethane
CID 153392281
4-ethenyliminopent-2-ene-2,3-diamine
CID 152822158
ethyl (2E)-4-ethenylimino-5-methoxyhexa-2,5-dienoate
CID 177208706
(2E)-4-[(Z)-2-(methylideneamino)ethenyl]iminohexa-2,5-dien-3-amine
CID 146426453
fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
[amino(methoxy)methylidene]azanium
CID 12946830
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-amino-N-ethenylbut-2-enimidate?
The IUPAC name of methyl (E)-2-amino-N-ethenylbut-2-enimidate (CID 143656646) is methyl (E)-2-amino-N-ethenylbut-2-enimidate.
What is the SMILES notation for methyl (E)-2-amino-N-ethenylbut-2-enimidate?
The canonical SMILES for methyl (E)-2-amino-N-ethenylbut-2-enimidate is C=C/N=C(OC)/C(N)=C\C.
What is the InChIKey of methyl (E)-2-amino-N-ethenylbut-2-enimidate?
The InChIKey is VVRZGFFKIJNJMZ-YVRRMWDWSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6(8)7(10-3)9-5-2/h4-5H,2,8H2,1,3H3/b6-4+,9-7-.
What are the key properties of methyl (E)-2-amino-N-ethenylbut-2-enimidate?
methyl (E)-2-amino-N-ethenylbut-2-enimidate has a molecular weight of 140.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-amino-N-ethenylbut-2-enimidate is sourced from PubChem (CID 143656646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).