3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one

C8H13NO2 — CID 19982537

IUPAC3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)OC1=CC(=O)NC1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h4H,5H2,1-3H3,(H,9,10)
InChIKeyCBMMSFBWKPAHCG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one

3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one (PubChem CID 19982537) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
PubChem CID19982537
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)OC1=CC(=O)NC1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h4H,5H2,1-3H3,(H,9,10)
InChIKeyCBMMSFBWKPAHCG-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one (CID 19982537) is 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one is CC(C)(C)OC1=CC(=O)NC1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The InChIKey is CBMMSFBWKPAHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)11-6-4-7(10)9-5-6/h4H,5H2,1-3H3,(H,9,10).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).