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

C8H11NO3 — CID 58186342

IUPACN-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)CCOC1=O
InChIInChI=1S/C8H11NO3/c1-3-6(10)9-8(2)4-5-12-7(8)11/h3H,1,4-5H2,2H3,(H,9,10)
InChIKeySFKWTGRGVNYAIB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

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

N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186342) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186342
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1(C)CCOC1=O
InChIInChI=1S/C8H11NO3/c1-3-6(10)9-8(2)4-5-12-7(8)11/h3H,1,4-5H2,2H3,(H,9,10)
InChIKeySFKWTGRGVNYAIB-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
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-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide (CID 58186342) is N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide is C=CC(=O)NC1(C)CCOC1=O.
What is the InChIKey of N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is SFKWTGRGVNYAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-6(10)9-8(2)4-5-12-7(8)11/h3H,1,4-5H2,2H3,(H,9,10).
What are the key properties of N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide?
N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).