2-propylpent-2-enamide

C8H15NO — CID 57220106

IUPAC2-propylpent-2-enamide
SMILESCCC=C(CCC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyRKMBLTWJMFPDNH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.61
Rot. Bonds4

About 2-propylpent-2-enamide

2-propylpent-2-enamide (PubChem CID 57220106) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-propylpent-2-enamide.

Molecular Properties

Compound Name2-propylpent-2-enamide
PubChem CID57220106
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-propylpent-2-enamide
SMILESCCC=C(CCC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H2,9,10)
InChIKeyRKMBLTWJMFPDNH-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Cyclopent-1-ene-1-carboxamide
CID 225568
2-(2-Methylpropyl)dec-2-enamide
CID 163195725
Cyclohexenecarboxamide
CID 11366985
Propylacrylamide
CID 12525274
Cyclohexa-1,4-diene-1-carboxamide
CID 13438613
Cyclobutenamide
CID 22074965
Propylmethacrylamide
CID 69117784
Ethylhexylacrylamide
CID 129627957
Ethylnonenamide
CID 134817842
Methylnonenamide
CID 140406304
alpha-Ethyl-beta-propylacrylic amide
CID 17903377
(E)-2-ethylbut-2-enamide
CID 21719930

Frequently Asked Questions

What is the IUPAC name of 2-propylpent-2-enamide?
The IUPAC name of 2-propylpent-2-enamide (CID 57220106) is 2-propylpent-2-enamide.
What is the SMILES notation for 2-propylpent-2-enamide?
The canonical SMILES for 2-propylpent-2-enamide is CCC=C(CCC)C(N)=O.
What is the InChIKey of 2-propylpent-2-enamide?
The InChIKey is RKMBLTWJMFPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H2,9,10).
What are the key properties of 2-propylpent-2-enamide?
2-propylpent-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpent-2-enamide is sourced from PubChem (CID 57220106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).