N-(1-ethoxyprop-1-en-2-yl)ethanimine

C7H13NO — CID 91286657

IUPACN-(1-ethoxyprop-1-en-2-yl)ethanimine
SMILESC/C=N/C(C)=COCC
InChIInChI=1S/C7H13NO/c1-4-8-7(3)6-9-5-2/h4,6H,5H2,1-3H3/b7-6?,8-4+
InChIKeyPBBBBQNPIXHMOF-DCEJBVEGSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About N-(1-ethoxyprop-1-en-2-yl)ethanimine

N-(1-ethoxyprop-1-en-2-yl)ethanimine (PubChem CID 91286657) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(1-ethoxyprop-1-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(1-ethoxyprop-1-en-2-yl)ethanimine
PubChem CID91286657
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(1-ethoxyprop-1-en-2-yl)ethanimine
SMILESC/C=N/C(C)=COCC
InChIInChI=1S/C7H13NO/c1-4-8-7(3)6-9-5-2/h4,6H,5H2,1-3H3/b7-6?,8-4+
InChIKeyPBBBBQNPIXHMOF-DCEJBVEGSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
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 N-(1-ethoxyprop-1-en-2-yl)ethanimine?
The IUPAC name of N-(1-ethoxyprop-1-en-2-yl)ethanimine (CID 91286657) is N-(1-ethoxyprop-1-en-2-yl)ethanimine.
What is the SMILES notation for N-(1-ethoxyprop-1-en-2-yl)ethanimine?
The canonical SMILES for N-(1-ethoxyprop-1-en-2-yl)ethanimine is C/C=N/C(C)=COCC.
What is the InChIKey of N-(1-ethoxyprop-1-en-2-yl)ethanimine?
The InChIKey is PBBBBQNPIXHMOF-DCEJBVEGSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-8-7(3)6-9-5-2/h4,6H,5H2,1-3H3/b7-6?,8-4+.
What are the key properties of N-(1-ethoxyprop-1-en-2-yl)ethanimine?
N-(1-ethoxyprop-1-en-2-yl)ethanimine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyprop-1-en-2-yl)ethanimine is sourced from PubChem (CID 91286657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).