N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide

C8H15NO2 — CID 130862795

IUPACN-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)O
InChIInChI=1S/C8H15NO2/c1-5-7(10)9-6(2)8(3,4)11/h5-6,11H,1H2,2-4H3,(H,9,10)
InChIKeyZFDQOSSIIJRTOY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds3

About N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide

N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide (PubChem CID 130862795) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
PubChem CID130862795
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)O
InChIInChI=1S/C8H15NO2/c1-5-7(10)9-6(2)8(3,4)11/h5-6,11H,1H2,2-4H3,(H,9,10)
InChIKeyZFDQOSSIIJRTOY-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
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

N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146687
azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146686
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
[(2S)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 151056866
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
CID 142409131
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
2-bromo-N-(3-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 131071518
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
azane;2,2-dimethyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174724043

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide (CID 130862795) is N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide?
The InChIKey is ZFDQOSSIIJRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(10)9-6(2)8(3,4)11/h5-6,11H,1H2,2-4H3,(H,9,10).
What are the key properties of N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide?
N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 130862795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).