N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide

C9H17NO2 — CID 79381769

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H17NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h5,12H,1,6-7H2,2-4H3
InChIKeyCOHFUMGKLFLIJJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide

N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide (PubChem CID 79381769) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide
PubChem CID79381769
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H17NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h5,12H,1,6-7H2,2-4H3
InChIKeyCOHFUMGKLFLIJJ-UHFFFAOYSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide (CID 79381769) is N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide is C=CCC(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide?
The InChIKey is COHFUMGKLFLIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-6-8(11)10(4)7-9(2,3)12/h5,12H,1,6-7H2,2-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide?
N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylbut-3-enamide is sourced from PubChem (CID 79381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).