5-hydroxy-2-methyl-N-propylpent-2-enamide

C9H17NO2 — CID 141458422

IUPAC5-hydroxy-2-methyl-N-propylpent-2-enamide
SMILESCCCNC(=O)C(C)=CCCO
InChIInChI=1S/C9H17NO2/c1-3-6-10-9(12)8(2)5-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12)
InChIKeyHYFKTGZORDNCDO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds5

About 5-hydroxy-2-methyl-N-propylpent-2-enamide

5-hydroxy-2-methyl-N-propylpent-2-enamide (PubChem CID 141458422) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-propylpent-2-enamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-propylpent-2-enamide
PubChem CID141458422
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-hydroxy-2-methyl-N-propylpent-2-enamide
SMILESCCCNC(=O)C(C)=CCCO
InChIInChI=1S/C9H17NO2/c1-3-6-10-9(12)8(2)5-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12)
InChIKeyHYFKTGZORDNCDO-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fuscoatramide
CID 10976838
4-(5-Hydroxy-3-methylpent-2-enamido)butanoic acid
CID 85353016
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(S,E)-N-(1-hydroxypropan-2-yl)-2-methyldec-2-enamide
CID 177896835
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
CID 104857267
4-[[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]butanoic acid
CID 168437154
2-Pentenamide, 2-methyl-N-propyl-, (E)-
CID 14751175
N-(3-hydroxypropyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 53823957
2-ethyl-N-(2-hydroxypropyl)but-2-enamide
CID 54085350
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 54423907
N-(3-hydroxypropyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 54543610
N-(1-hydroxyethyl)-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 57195044

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-propylpent-2-enamide?
The IUPAC name of 5-hydroxy-2-methyl-N-propylpent-2-enamide (CID 141458422) is 5-hydroxy-2-methyl-N-propylpent-2-enamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-propylpent-2-enamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-propylpent-2-enamide is CCCNC(=O)C(C)=CCCO.
What is the InChIKey of 5-hydroxy-2-methyl-N-propylpent-2-enamide?
The InChIKey is HYFKTGZORDNCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-10-9(12)8(2)5-4-7-11/h5,11H,3-4,6-7H2,1-2H3,(H,10,12).
What are the key properties of 5-hydroxy-2-methyl-N-propylpent-2-enamide?
5-hydroxy-2-methyl-N-propylpent-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-propylpent-2-enamide is sourced from PubChem (CID 141458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).