prop-2-enyl 3-ethyliminobutanoate

C9H15NO2 — CID 139895353

IUPACprop-2-enyl 3-ethyliminobutanoate
SMILESC=CCOC(=O)C/C(C)=N/CC
InChIInChI=1S/C9H15NO2/c1-4-6-12-9(11)7-8(3)10-5-2/h4H,1,5-7H2,2-3H3/b10-8+
InChIKeyLZORDJIGVMRBNZ-CSKARUKUSA-N
MW169.22 g/mol
LogP1.59
Rot. Bonds5

About prop-2-enyl 3-ethyliminobutanoate

prop-2-enyl 3-ethyliminobutanoate (PubChem CID 139895353) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is prop-2-enyl 3-ethyliminobutanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-ethyliminobutanoate
PubChem CID139895353
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameprop-2-enyl 3-ethyliminobutanoate
SMILESC=CCOC(=O)C/C(C)=N/CC
InChIInChI=1S/C9H15NO2/c1-4-6-12-9(11)7-8(3)10-5-2/h4H,1,5-7H2,2-3H3/b10-8+
InChIKeyLZORDJIGVMRBNZ-CSKARUKUSA-N
XLogP1.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
propan-2-one;prop-2-enyl propanoate
CID 174904905
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
azane;prop-2-enyl propanoate
CID 87729437
chloromethane;prop-2-enyl propanoate
CID 174815872
CID 87856931
CID 87856931
bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542
butan-2-one;prop-2-enyl acetate
CID 118347758
ethyl 3-(3-methyl-2-methylidenebutyl)iminobutanoate
CID 123454744
azane;prop-2-enyl but-3-enoate
CID 88514758
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl 3-chloro-4-oxopentanoate
CID 87737701

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-ethyliminobutanoate?
The IUPAC name of prop-2-enyl 3-ethyliminobutanoate (CID 139895353) is prop-2-enyl 3-ethyliminobutanoate.
What is the SMILES notation for prop-2-enyl 3-ethyliminobutanoate?
The canonical SMILES for prop-2-enyl 3-ethyliminobutanoate is C=CCOC(=O)C/C(C)=N/CC.
What is the InChIKey of prop-2-enyl 3-ethyliminobutanoate?
The InChIKey is LZORDJIGVMRBNZ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-12-9(11)7-8(3)10-5-2/h4H,1,5-7H2,2-3H3/b10-8+.
What are the key properties of prop-2-enyl 3-ethyliminobutanoate?
prop-2-enyl 3-ethyliminobutanoate has a molecular weight of 169.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-ethyliminobutanoate is sourced from PubChem (CID 139895353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).