N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine

C8H13NO — CID 142024356

IUPACN-prop-2-enyl-2-prop-1-en-2-yloxyethanimine
SMILESC=CC/N=C/COC(=C)C
InChIInChI=1S/C8H13NO/c1-4-5-9-6-7-10-8(2)3/h4,6H,1-2,5,7H2,3H3/b9-6+
InChIKeyNBSPRCFIAKPKNO-RMKNXTFCSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds5

About N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine

N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine (PubChem CID 142024356) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine.

Molecular Properties

Compound NameN-prop-2-enyl-2-prop-1-en-2-yloxyethanimine
PubChem CID142024356
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-prop-2-enyl-2-prop-1-en-2-yloxyethanimine
SMILESC=CC/N=C/COC(=C)C
InChIInChI=1S/C8H13NO/c1-4-5-9-6-7-10-8(2)3/h4,6H,1-2,5,7H2,3H3/b9-6+
InChIKeyNBSPRCFIAKPKNO-RMKNXTFCSA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine?
The IUPAC name of N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine (CID 142024356) is N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine.
What is the SMILES notation for N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine?
The canonical SMILES for N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine is C=CC/N=C/COC(=C)C.
What is the InChIKey of N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine?
The InChIKey is NBSPRCFIAKPKNO-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-9-6-7-10-8(2)3/h4,6H,1-2,5,7H2,3H3/b9-6+.
What are the key properties of N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine?
N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine has a molecular weight of 139.20 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-prop-1-en-2-yloxyethanimine is sourced from PubChem (CID 142024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).