3-butoxyprop-2-enamide

C7H13NO2 — CID 54167422

IUPAC3-butoxyprop-2-enamide
SMILESCCCCOC=CC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h4,6H,2-3,5H2,1H3,(H2,8,9)
InChIKeyOSQHGJSWWLGBGS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.80
Rot. Bonds5

About 3-butoxyprop-2-enamide

3-butoxyprop-2-enamide (PubChem CID 54167422) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-butoxyprop-2-enamide.

Molecular Properties

Compound Name3-butoxyprop-2-enamide
PubChem CID54167422
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-butoxyprop-2-enamide
SMILESCCCCOC=CC(N)=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h4,6H,2-3,5H2,1H3,(H2,8,9)
InChIKeyOSQHGJSWWLGBGS-UHFFFAOYSA-N
XLogP0.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 3-butoxyprop-2-enoate
CID 54529096
(E)-3-butoxyprop-2-enoyl chloride
CID 18183470
ethyl 4-butoxy-2-oxobut-3-enoate
CID 86213496
methyl 4-butoxy-2-oxobut-3-enoate
CID 72805302
butyl 2-oxo-4-propoxybut-3-enoate
CID 86213510
heptyl (Z)-4-amino-4-oxobut-2-enoate
CID 139644348
phenyl 3-butoxyprop-2-enoate
CID 67200074
butyl hydrogen carbonate
CID 157271096
CID 57489595
CID 57489595
butyl carbamate;prop-2-enamide
CID 174431220
pentyl 4-pentoxybut-3-enoate
CID 174418136
1-[(E)-but-1-enoxy]butane
CID 5364928

Frequently Asked Questions

What is the IUPAC name of 3-butoxyprop-2-enamide?
The IUPAC name of 3-butoxyprop-2-enamide (CID 54167422) is 3-butoxyprop-2-enamide.
What is the SMILES notation for 3-butoxyprop-2-enamide?
The canonical SMILES for 3-butoxyprop-2-enamide is CCCCOC=CC(N)=O.
What is the InChIKey of 3-butoxyprop-2-enamide?
The InChIKey is OSQHGJSWWLGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-5-10-6-4-7(8)9/h4,6H,2-3,5H2,1H3,(H2,8,9).
What are the key properties of 3-butoxyprop-2-enamide?
3-butoxyprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxyprop-2-enamide is sourced from PubChem (CID 54167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).