2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide

C9H13NO3 — CID 58186343

IUPAC2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1C(=O)OCC1C
InChIInChI=1S/C9H13NO3/c1-5(2)8(11)10-7-6(3)4-13-9(7)12/h6-7H,1,4H2,2-3H3,(H,10,11)
InChIKeyNJVAMIGCAFVWCM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds2

About 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide

2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186343) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186343
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1C(=O)OCC1C
InChIInChI=1S/C9H13NO3/c1-5(2)8(11)10-7-6(3)4-13-9(7)12/h6-7H,1,4H2,2-3H3,(H,10,11)
InChIKeyNJVAMIGCAFVWCM-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.24
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 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide (CID 58186343) is 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide is C=C(C)C(=O)NC1C(=O)OCC1C.
What is the InChIKey of 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is NJVAMIGCAFVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)8(11)10-7-6(3)4-13-9(7)12/h6-7H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).