N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide

C10H15NO3 — CID 58186313

IUPACN-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1C(=O)OCC1(C)C
InChIInChI=1S/C10H15NO3/c1-6(2)8(12)11-7-9(13)14-5-10(7,3)4/h7H,1,5H2,2-4H3,(H,11,12)
InChIKeyAJFNASPQAPOVMH-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds2

About N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide

N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide (PubChem CID 58186313) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide
PubChem CID58186313
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1C(=O)OCC1(C)C
InChIInChI=1S/C10H15NO3/c1-6(2)8(12)11-7-9(13)14-5-10(7,3)4/h7H,1,5H2,2-4H3,(H,11,12)
InChIKeyAJFNASPQAPOVMH-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide (CID 58186313) is N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1C(=O)OCC1(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide?
The InChIKey is AJFNASPQAPOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(2)8(12)11-7-9(13)14-5-10(7,3)4/h7H,1,5H2,2-4H3,(H,11,12).
What are the key properties of N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide?
N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 58186313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).