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

C8H11NO3 — CID 58186125

IUPAC2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C8H11NO3/c1-5(2)7(10)9-6-3-4-12-8(6)11/h6H,1,3-4H2,2H3,(H,9,10)
InChIKeyYIIXERUZXHUDRT-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

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

2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide (PubChem CID 58186125) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide
PubChem CID58186125
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCOC1=O
InChIInChI=1S/C8H11NO3/c1-5(2)7(10)9-6-3-4-12-8(6)11/h6H,1,3-4H2,2H3,(H,9,10)
InChIKeyYIIXERUZXHUDRT-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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Related Compounds

CID 58186143
CID 58186143
CID 172456807
CID 172456807
CID 21806553
CID 21806553
CID 135363148
CID 135363148
CID 14102066
CID 14102066
CID 45122971
CID 45122971
CID 11085567
CID 11085567
CID 15084869
CID 15084869
CID 23020660
CID 23020660
CID 23020667
CID 23020667
CID 23298515
CID 23298515
CID 53906955
CID 53906955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide (CID 58186125) is 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide is C=C(C)C(=O)NC1CCOC1=O.
What is the InChIKey of 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide?
The InChIKey is YIIXERUZXHUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)7(10)9-6-3-4-12-8(6)11/h6H,1,3-4H2,2H3,(H,9,10).
What are the key properties of 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide?
2-methyl-N-(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 2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide is sourced from PubChem (CID 58186125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).