6-hydroxy-2-methyl-N-propylhex-2-enamide

C10H19NO2 — CID 141458423

IUPAC6-hydroxy-2-methyl-N-propylhex-2-enamide
SMILESCCCNC(=O)C(C)=CCCCO
InChIInChI=1S/C10H19NO2/c1-3-7-11-10(13)9(2)6-4-5-8-12/h6,12H,3-5,7-8H2,1-2H3,(H,11,13)
InChIKeyRTURWRDQFIYSOY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.23
Rot. Bonds6

About 6-hydroxy-2-methyl-N-propylhex-2-enamide

6-hydroxy-2-methyl-N-propylhex-2-enamide (PubChem CID 141458423) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-N-propylhex-2-enamide.

Molecular Properties

Compound Name6-hydroxy-2-methyl-N-propylhex-2-enamide
PubChem CID141458423
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-hydroxy-2-methyl-N-propylhex-2-enamide
SMILESCCCNC(=O)C(C)=CCCCO
InChIInChI=1S/C10H19NO2/c1-3-7-11-10(13)9(2)6-4-5-8-12/h6,12H,3-5,7-8H2,1-2H3,(H,11,13)
InChIKeyRTURWRDQFIYSOY-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 12090207
(6R,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
CID 162932494
(E,4R)-4-hydroxy-N-(2-methylpropyl)hex-2-enamide
CID 163044166
(2E,4E)-N-(2-fluoropropyl)-9-hydroxynona-2,4-dienamide
CID 156513466
6-ethyl-3-fluoro-N-(2-hydroxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 167046965
(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
(2E,4E,8Z,11E)-N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 5318234
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
CID 104857267
(2E,7E)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
CID 172653384
(2E,6R,7E,9R)-6,9-dihydroxy-N-(2-methylpropyl)deca-2,7-dienamide
CID 172653385
(2E,5S)-N-(2-hydroxyethyl)-2,5,9-trimethyldeca-2,8-dienamide
CID 11357237

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-N-propylhex-2-enamide?
The IUPAC name of 6-hydroxy-2-methyl-N-propylhex-2-enamide (CID 141458423) is 6-hydroxy-2-methyl-N-propylhex-2-enamide.
What is the SMILES notation for 6-hydroxy-2-methyl-N-propylhex-2-enamide?
The canonical SMILES for 6-hydroxy-2-methyl-N-propylhex-2-enamide is CCCNC(=O)C(C)=CCCCO.
What is the InChIKey of 6-hydroxy-2-methyl-N-propylhex-2-enamide?
The InChIKey is RTURWRDQFIYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7-11-10(13)9(2)6-4-5-8-12/h6,12H,3-5,7-8H2,1-2H3,(H,11,13).
What are the key properties of 6-hydroxy-2-methyl-N-propylhex-2-enamide?
6-hydroxy-2-methyl-N-propylhex-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-N-propylhex-2-enamide is sourced from PubChem (CID 141458423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).