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

C7H9NO3 — CID 58186052

IUPACN-(2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h2,5H,1,3-4H2,(H,8,9)
InChIKeyUPLFDGZKKXLBBP-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.40
Rot. Bonds2

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

N-(2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186052) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186052
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC NameN-(2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCOC1=O
InChIInChI=1S/C7H9NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h2,5H,1,3-4H2,(H,8,9)
InChIKeyUPLFDGZKKXLBBP-UHFFFAOYSA-N
XLogP-0.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.40
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-(2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of N-(2-oxooxolan-3-yl)prop-2-enamide (CID 58186052) is N-(2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)prop-2-enamide is C=CC(=O)NC1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is UPLFDGZKKXLBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-6(9)8-5-3-4-11-7(5)10/h2,5H,1,3-4H2,(H,8,9).
What are the key properties of N-(2-oxooxolan-3-yl)prop-2-enamide?
N-(2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 155.15 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).