4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one

C8H10N2O2 — CID 19436655

IUPAC4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1N1C=CCC1
InChIInChI=1S/C8H10N2O2/c1-6-7(8(11)12-9-6)10-4-2-3-5-10/h2,4,7H,3,5H2,1H3
InChIKeyCWKMWVZIJFIZNF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.51
Rot. Bonds1

About 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one

4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one (PubChem CID 19436655) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one
PubChem CID19436655
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one
SMILESCC1=NOC(=O)C1N1C=CCC1
InChIInChI=1S/C8H10N2O2/c1-6-7(8(11)12-9-6)10-4-2-3-5-10/h2,4,7H,3,5H2,1H3
InChIKeyCWKMWVZIJFIZNF-UHFFFAOYSA-N
XLogP0.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one?
The IUPAC name of 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one (CID 19436655) is 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one is CC1=NOC(=O)C1N1C=CCC1.
What is the InChIKey of 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one?
The InChIKey is CWKMWVZIJFIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-7(8(11)12-9-6)10-4-2-3-5-10/h2,4,7H,3,5H2,1H3.
What are the key properties of 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one?
4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one has a molecular weight of 166.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyrrol-1-yl)-3-methyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 19436655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).