prop-1-en-2-yl N-methylethanimidate

C6H11NO — CID 88965932

IUPACprop-1-en-2-yl N-methylethanimidate
SMILESC=C(C)O/C(C)=N/C
InChIInChI=1S/C6H11NO/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+
InChIKeyWHTSARNINLKVLZ-VOTSOKGWSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds1

About prop-1-en-2-yl N-methylethanimidate

prop-1-en-2-yl N-methylethanimidate (PubChem CID 88965932) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is prop-1-en-2-yl N-methylethanimidate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-methylethanimidate
PubChem CID88965932
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameprop-1-en-2-yl N-methylethanimidate
SMILESC=C(C)O/C(C)=N/C
InChIInChI=1S/C6H11NO/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+
InChIKeyWHTSARNINLKVLZ-VOTSOKGWSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
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': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-methylethanimidate?
The IUPAC name of prop-1-en-2-yl N-methylethanimidate (CID 88965932) is prop-1-en-2-yl N-methylethanimidate.
What is the SMILES notation for prop-1-en-2-yl N-methylethanimidate?
The canonical SMILES for prop-1-en-2-yl N-methylethanimidate is C=C(C)O/C(C)=N/C.
What is the InChIKey of prop-1-en-2-yl N-methylethanimidate?
The InChIKey is WHTSARNINLKVLZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)8-6(3)7-4/h1H2,2-4H3/b7-6+.
What are the key properties of prop-1-en-2-yl N-methylethanimidate?
prop-1-en-2-yl N-methylethanimidate has a molecular weight of 113.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-methylethanimidate is sourced from PubChem (CID 88965932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).