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

C8H13NO2 — CID 13328443

IUPAC2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)OC1C=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-7-5-4-6(10)9-7/h4-5,7H,1-3H3,(H,9,10)
InChIKeyTZQVKHJTLZMXFV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.81
Rot. Bonds1

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

2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one (PubChem CID 13328443) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
PubChem CID13328443
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
SMILESCC(C)(C)OC1C=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-7-5-4-6(10)9-7/h4-5,7H,1-3H3,(H,9,10)
InChIKeyTZQVKHJTLZMXFV-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one (CID 13328443) is 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one is CC(C)(C)OC1C=CC(=O)N1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
The InChIKey is TZQVKHJTLZMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)11-7-5-4-6(10)9-7/h4-5,7H,1-3H3,(H,9,10).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one?
2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 13328443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).