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

C9H13NO3 — CID 58186143

IUPACN-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1C(=O)OCC1(C)C
InChIInChI=1S/C9H13NO3/c1-4-6(11)10-7-8(12)13-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,11)
InChIKeyDYMBMCIIEXGRKA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.24
Rot. Bonds2

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

N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186143) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186143
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1C(=O)OCC1(C)C
InChIInChI=1S/C9H13NO3/c1-4-6(11)10-7-8(12)13-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,11)
InChIKeyDYMBMCIIEXGRKA-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 N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide (CID 58186143) is N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide is C=CC(=O)NC1C(=O)OCC1(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is DYMBMCIIEXGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-6(11)10-7-8(12)13-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,11).
What are the key properties of N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide?
N-(4,4-dimethyl-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 N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).