ethane;ethenyl N-ethenylethanimidate

C8H15NO — CID 143602013

IUPACethane;ethenyl N-ethenylethanimidate
SMILESC=C/N=C(\C)OC=C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-4-7-6(3)8-5-2;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-6+;
InChIKeyKHXNFTOECZEPFG-UHDJGPCESA-N
MW141.21 g/mol
LogP2.73
Rot. Bonds2

About ethane;ethenyl N-ethenylethanimidate

ethane;ethenyl N-ethenylethanimidate (PubChem CID 143602013) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;ethenyl N-ethenylethanimidate.

Molecular Properties

Compound Nameethane;ethenyl N-ethenylethanimidate
PubChem CID143602013
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;ethenyl N-ethenylethanimidate
SMILESC=C/N=C(\C)OC=C.CC
InChIInChI=1S/C6H9NO.C2H6/c1-4-7-6(3)8-5-2;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-6+;
InChIKeyKHXNFTOECZEPFG-UHDJGPCESA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethenyl (1Z)-ethanehydrazonate
CID 89286561
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethane;ethyl N-ethenylethanimidothioate
CID 143602053
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
ethenyl acetate;formic acid
CID 175608061
ethenyl acetate
CID 7904
CID 22321303
CID 22321303
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
bis(ethenyl) carbonate;ethene
CID 87073622
methyl (Z)-N-ethenyl-2-methylbut-2-enimidate
CID 143178409

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl N-ethenylethanimidate?
The IUPAC name of ethane;ethenyl N-ethenylethanimidate (CID 143602013) is ethane;ethenyl N-ethenylethanimidate.
What is the SMILES notation for ethane;ethenyl N-ethenylethanimidate?
The canonical SMILES for ethane;ethenyl N-ethenylethanimidate is C=C/N=C(\C)OC=C.CC.
What is the InChIKey of ethane;ethenyl N-ethenylethanimidate?
The InChIKey is KHXNFTOECZEPFG-UHDJGPCESA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-4-7-6(3)8-5-2;1-2/h4-5H,1-2H2,3H3;1-2H3/b7-6+;.
What are the key properties of ethane;ethenyl N-ethenylethanimidate?
ethane;ethenyl N-ethenylethanimidate has a molecular weight of 141.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl N-ethenylethanimidate is sourced from PubChem (CID 143602013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).