2-prop-2-enoxy-N-prop-2-enylethanimine

C8H13NO — CID 142023982

IUPAC2-prop-2-enoxy-N-prop-2-enylethanimine
SMILESC=CC/N=C/COCC=C
InChIInChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6H,1-2,5,7-8H2/b9-6+
InChIKeyKRWILQCAKGOCHM-RMKNXTFCSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds6

About 2-prop-2-enoxy-N-prop-2-enylethanimine

2-prop-2-enoxy-N-prop-2-enylethanimine (PubChem CID 142023982) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-prop-2-enylethanimine.

Molecular Properties

Compound Name2-prop-2-enoxy-N-prop-2-enylethanimine
PubChem CID142023982
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-prop-2-enoxy-N-prop-2-enylethanimine
SMILESC=CC/N=C/COCC=C
InChIInChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6H,1-2,5,7-8H2/b9-6+
InChIKeyKRWILQCAKGOCHM-RMKNXTFCSA-N
XLogP1.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-prop-2-enylethanimine?
The IUPAC name of 2-prop-2-enoxy-N-prop-2-enylethanimine (CID 142023982) is 2-prop-2-enoxy-N-prop-2-enylethanimine.
What is the SMILES notation for 2-prop-2-enoxy-N-prop-2-enylethanimine?
The canonical SMILES for 2-prop-2-enoxy-N-prop-2-enylethanimine is C=CC/N=C/COCC=C.
What is the InChIKey of 2-prop-2-enoxy-N-prop-2-enylethanimine?
The InChIKey is KRWILQCAKGOCHM-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-9-6-8-10-7-4-2/h3-4,6H,1-2,5,7-8H2/b9-6+.
What are the key properties of 2-prop-2-enoxy-N-prop-2-enylethanimine?
2-prop-2-enoxy-N-prop-2-enylethanimine has a molecular weight of 139.20 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-prop-2-enylethanimine is sourced from PubChem (CID 142023982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).