2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide

C11H21NO2 — CID 174991342

IUPAC2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
SMILESC=CCC(C)(C(N)=O)C(CO)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-11(4,10(12)14)9(7-13)8(2)3/h5,8-9,13H,1,6-7H2,2-4H3,(H2,12,14)
InChIKeyXLQQWZNZDQTOKY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds6

About 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide

2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide (PubChem CID 174991342) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
PubChem CID174991342
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
SMILESC=CCC(C)(C(N)=O)C(CO)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-11(4,10(12)14)9(7-13)8(2)3/h5,8-9,13H,1,6-7H2,2-4H3,(H2,12,14)
InChIKeyXLQQWZNZDQTOKY-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
2,2-dimethylpent-4-enamide;methoxyethene
CID 174849158
(2S,3S)-2-amino-3-methylhex-5-en-3-ol;2,2,2-trifluoroacetic acid
CID 87235210
2-formamido-2-methylpent-4-enamide
CID 86010782
propane-1,2-diol;prop-2-enamide
CID 135223311
ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
CID 58226973
1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488655
2,3-dihydroxy-2-prop-2-enylbutanediamide
CID 140977246
2-(hydroxymethyl)-3-methyl-2-prop-2-enylbutane-1,4-diol
CID 87261252

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide?
The IUPAC name of 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide (CID 174991342) is 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide.
What is the SMILES notation for 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide?
The canonical SMILES for 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide is C=CCC(C)(C(N)=O)C(CO)C(C)C.
What is the InChIKey of 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide?
The InChIKey is XLQQWZNZDQTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-11(4,10(12)14)9(7-13)8(2)3/h5,8-9,13H,1,6-7H2,2-4H3,(H2,12,14).
What are the key properties of 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide?
2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide is sourced from PubChem (CID 174991342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).