2-but-3-enoxy-N-ethylpropanamide

C9H17NO2 — CID 89129102

IUPAC2-but-3-enoxy-N-ethylpropanamide
SMILESC=CCCOC(C)C(=O)NCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-8(3)9(11)10-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyFCMIFJSMQXGFAO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds6

About 2-but-3-enoxy-N-ethylpropanamide

2-but-3-enoxy-N-ethylpropanamide (PubChem CID 89129102) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-but-3-enoxy-N-ethylpropanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-ethylpropanamide
PubChem CID89129102
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-but-3-enoxy-N-ethylpropanamide
SMILESC=CCCOC(C)C(=O)NCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-12-8(3)9(11)10-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyFCMIFJSMQXGFAO-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-ethylpropanamide?
The IUPAC name of 2-but-3-enoxy-N-ethylpropanamide (CID 89129102) is 2-but-3-enoxy-N-ethylpropanamide.
What is the SMILES notation for 2-but-3-enoxy-N-ethylpropanamide?
The canonical SMILES for 2-but-3-enoxy-N-ethylpropanamide is C=CCCOC(C)C(=O)NCC.
What is the InChIKey of 2-but-3-enoxy-N-ethylpropanamide?
The InChIKey is FCMIFJSMQXGFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-12-8(3)9(11)10-5-2/h4,8H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of 2-but-3-enoxy-N-ethylpropanamide?
2-but-3-enoxy-N-ethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-ethylpropanamide is sourced from PubChem (CID 89129102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).