prop-1-en-2-yl N-ethylpropanimidate

C8H15NO — CID 145439014

IUPACprop-1-en-2-yl N-ethylpropanimidate
SMILESC=C(C)O/C(CC)=N/CC
InChIInChI=1S/C8H15NO/c1-5-8(9-6-2)10-7(3)4/h3,5-6H2,1-2,4H3/b9-8+
InChIKeyGWFQGSVLRPMKHO-CMDGGOBGSA-N
MW141.21 g/mol
LogP2.37
Rot. Bonds3

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

prop-1-en-2-yl N-ethylpropanimidate (PubChem CID 145439014) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is prop-1-en-2-yl N-ethylpropanimidate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-ethylpropanimidate
PubChem CID145439014
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameprop-1-en-2-yl N-ethylpropanimidate
SMILESC=C(C)O/C(CC)=N/CC
InChIInChI=1S/C8H15NO/c1-5-8(9-6-2)10-7(3)4/h3,5-6H2,1-2,4H3/b9-8+
InChIKeyGWFQGSVLRPMKHO-CMDGGOBGSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.37
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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Related Compounds

prop-1-en-2-yl N-methylethanimidate
CID 88965932
[(Z)-but-2-en-2-yl] N-methylpropanimidate
CID 142178260
prop-1-en-2-yl N,2-dimethylpropanimidate
CID 144283076
ethane;prop-1-en-2-yl N-ethylethanimidate
CID 145118104
prop-1-en-2-yl N-ethylethanimidate
CID 145118105
prop-1-en-2-yl 3-methoxy-N-methylpropanimidate
CID 155044168
penta-2,3-dien-2-yl N-methylethanimidate
CID 163867601
5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole
CID 169100344
prop-1-en-2-yl N-propan-2-ylethanimidate
CID 21721467

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-ethylpropanimidate?
The IUPAC name of prop-1-en-2-yl N-ethylpropanimidate (CID 145439014) is prop-1-en-2-yl N-ethylpropanimidate.
What is the SMILES notation for prop-1-en-2-yl N-ethylpropanimidate?
The canonical SMILES for prop-1-en-2-yl N-ethylpropanimidate is C=C(C)O/C(CC)=N/CC.
What is the InChIKey of prop-1-en-2-yl N-ethylpropanimidate?
The InChIKey is GWFQGSVLRPMKHO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(9-6-2)10-7(3)4/h3,5-6H2,1-2,4H3/b9-8+.
What are the key properties of prop-1-en-2-yl N-ethylpropanimidate?
prop-1-en-2-yl N-ethylpropanimidate has a molecular weight of 141.21 g/mol, XLogP of 2.37, 3 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-ethylpropanimidate is sourced from PubChem (CID 145439014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).