methyl N-[(E)-prop-1-enyl]ethanimidate

C6H11NO — CID 142215629

IUPACmethyl N-[(E)-prop-1-enyl]ethanimidate
SMILESC/C=C/N=C(\C)OC
InChIInChI=1S/C6H11NO/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyLSFRNNCULKCQJS-YTXTXJHMSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds1

About methyl N-[(E)-prop-1-enyl]ethanimidate

methyl N-[(E)-prop-1-enyl]ethanimidate (PubChem CID 142215629) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is methyl N-[(E)-prop-1-enyl]ethanimidate.

Molecular Properties

Compound Namemethyl N-[(E)-prop-1-enyl]ethanimidate
PubChem CID142215629
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namemethyl N-[(E)-prop-1-enyl]ethanimidate
SMILESC/C=C/N=C(\C)OC
InChIInChI=1S/C6H11NO/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyLSFRNNCULKCQJS-YTXTXJHMSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
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

fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
4-[(Z)-prop-1-enyl]iminopentan-2-one
CID 144630009
3,4-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 143339603
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214
ethane;heptan-2-yl N-[(E)-prop-1-enyl]ethanimidate
CID 178057660
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-prop-1-enyl]ethanimidate?
The IUPAC name of methyl N-[(E)-prop-1-enyl]ethanimidate (CID 142215629) is methyl N-[(E)-prop-1-enyl]ethanimidate.
What is the SMILES notation for methyl N-[(E)-prop-1-enyl]ethanimidate?
The canonical SMILES for methyl N-[(E)-prop-1-enyl]ethanimidate is C/C=C/N=C(\C)OC.
What is the InChIKey of methyl N-[(E)-prop-1-enyl]ethanimidate?
The InChIKey is LSFRNNCULKCQJS-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5-7-6(2)8-3/h4-5H,1-3H3/b5-4+,7-6+.
What are the key properties of methyl N-[(E)-prop-1-enyl]ethanimidate?
methyl N-[(E)-prop-1-enyl]ethanimidate has a molecular weight of 113.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-prop-1-enyl]ethanimidate is sourced from PubChem (CID 142215629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).