prop-1-en-2-yl 3-methoxy-N-methylpropanimidate

C8H15NO2 — CID 155044168

IUPACprop-1-en-2-yl 3-methoxy-N-methylpropanimidate
SMILESC=C(C)O/C(CCOC)=N/C
InChIInChI=1S/C8H15NO2/c1-7(2)11-8(9-3)5-6-10-4/h1,5-6H2,2-4H3/b9-8+
InChIKeyAWUNNBVRPOJMMF-CMDGGOBGSA-N
MW157.21 g/mol
LogP1.60
Rot. Bonds4

About prop-1-en-2-yl 3-methoxy-N-methylpropanimidate

prop-1-en-2-yl 3-methoxy-N-methylpropanimidate (PubChem CID 155044168) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is prop-1-en-2-yl 3-methoxy-N-methylpropanimidate.

Molecular Properties

Compound Nameprop-1-en-2-yl 3-methoxy-N-methylpropanimidate
PubChem CID155044168
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameprop-1-en-2-yl 3-methoxy-N-methylpropanimidate
SMILESC=C(C)O/C(CCOC)=N/C
InChIInChI=1S/C8H15NO2/c1-7(2)11-8(9-3)5-6-10-4/h1,5-6H2,2-4H3/b9-8+
InChIKeyAWUNNBVRPOJMMF-CMDGGOBGSA-N
XLogP1.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methoxy-N-methylpropanimidate?
The IUPAC name of prop-1-en-2-yl 3-methoxy-N-methylpropanimidate (CID 155044168) is prop-1-en-2-yl 3-methoxy-N-methylpropanimidate.
What is the SMILES notation for prop-1-en-2-yl 3-methoxy-N-methylpropanimidate?
The canonical SMILES for prop-1-en-2-yl 3-methoxy-N-methylpropanimidate is C=C(C)O/C(CCOC)=N/C.
What is the InChIKey of prop-1-en-2-yl 3-methoxy-N-methylpropanimidate?
The InChIKey is AWUNNBVRPOJMMF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)11-8(9-3)5-6-10-4/h1,5-6H2,2-4H3/b9-8+.
What are the key properties of prop-1-en-2-yl 3-methoxy-N-methylpropanimidate?
prop-1-en-2-yl 3-methoxy-N-methylpropanimidate has a molecular weight of 157.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 3-methoxy-N-methylpropanimidate is sourced from PubChem (CID 155044168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).