ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine

C9H17NO — CID 142926587

IUPACethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)OC.CC
InChIInChI=1S/C7H11NO.C2H6/c1-6(2)5-8-7(3)9-4;1-2/h5H,1,3H2,2,4H3;1-2H3/b8-5-;
InChIKeyIXCNNLSSTMGEND-HGKIGUAWSA-N
MW155.24 g/mol
LogP2.78
Rot. Bonds3

About ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine

ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine (PubChem CID 142926587) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine
PubChem CID142926587
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)OC.CC
InChIInChI=1S/C7H11NO.C2H6/c1-6(2)5-8-7(3)9-4;1-2/h5H,1,3H2,2,4H3;1-2H3/b8-5-;
InChIKeyIXCNNLSSTMGEND-HGKIGUAWSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine (CID 142926587) is ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine is C=C(C)/C=N\C(=C)OC.CC.
What is the InChIKey of ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine?
The InChIKey is IXCNNLSSTMGEND-HGKIGUAWSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-6(2)5-8-7(3)9-4;1-2/h5H,1,3H2,2,4H3;1-2H3/b8-5-;.
What are the key properties of ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine?
ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine has a molecular weight of 155.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(1-methoxyethenyl)-2-methylprop-2-en-1-imine is sourced from PubChem (CID 142926587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).