ethane;(2E)-2-methoxyiminobut-3-enal

C7H13NO2 — CID 154649103

IUPACethane;(2E)-2-methoxyiminobut-3-enal
SMILESC=C/C(C=O)=N\OC.CC
InChIInChI=1S/C5H7NO2.C2H6/c1-3-5(4-7)6-8-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-5+;
InChIKeyHEZBOWLASDOKLZ-IPZCTEOASA-N
MW143.19 g/mol
LogP1.40
Rot. Bonds3

About ethane;(2E)-2-methoxyiminobut-3-enal

ethane;(2E)-2-methoxyiminobut-3-enal (PubChem CID 154649103) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethane;(2E)-2-methoxyiminobut-3-enal.

Molecular Properties

Compound Nameethane;(2E)-2-methoxyiminobut-3-enal
PubChem CID154649103
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethane;(2E)-2-methoxyiminobut-3-enal
SMILESC=C/C(C=O)=N\OC.CC
InChIInChI=1S/C5H7NO2.C2H6/c1-3-5(4-7)6-8-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-5+;
InChIKeyHEZBOWLASDOKLZ-IPZCTEOASA-N
XLogP1.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-methoxyiminobut-3-enal?
The IUPAC name of ethane;(2E)-2-methoxyiminobut-3-enal (CID 154649103) is ethane;(2E)-2-methoxyiminobut-3-enal.
What is the SMILES notation for ethane;(2E)-2-methoxyiminobut-3-enal?
The canonical SMILES for ethane;(2E)-2-methoxyiminobut-3-enal is C=C/C(C=O)=N\OC.CC.
What is the InChIKey of ethane;(2E)-2-methoxyiminobut-3-enal?
The InChIKey is HEZBOWLASDOKLZ-IPZCTEOASA-N. The full InChI is InChI=1S/C5H7NO2.C2H6/c1-3-5(4-7)6-8-2;1-2/h3-4H,1H2,2H3;1-2H3/b6-5+;.
What are the key properties of ethane;(2E)-2-methoxyiminobut-3-enal?
ethane;(2E)-2-methoxyiminobut-3-enal has a molecular weight of 143.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-methoxyiminobut-3-enal is sourced from PubChem (CID 154649103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).