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

C8H11NO3 — CID 58186140

IUPACN-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1C(=O)OCC1C
InChIInChI=1S/C8H11NO3/c1-3-6(10)9-7-5(2)4-12-8(7)11/h3,5,7H,1,4H2,2H3,(H,9,10)
InChIKeyAAONHNSABRMFRX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.15
Rot. Bonds2

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

N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186140) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186140
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1C(=O)OCC1C
InChIInChI=1S/C8H11NO3/c1-3-6(10)9-7-5(2)4-12-8(7)11/h3,5,7H,1,4H2,2H3,(H,9,10)
InChIKeyAAONHNSABRMFRX-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide (CID 58186140) is N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide is C=CC(=O)NC1C(=O)OCC1C.
What is the InChIKey of N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is AAONHNSABRMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-6(10)9-7-5(2)4-12-8(7)11/h3,5,7H,1,4H2,2H3,(H,9,10).
What are the key properties of N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide?
N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).