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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Related Compounds

[(2S)-5-oxo-1,2-dihydropyrrol-2-yl] acetate
CID 11194386
(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
CID 15202858
2-tert-butyl-2,3-dihydro-1H-pyridin-6-one
CID 130019544
(2R)-2-propyl-1,2-dihydropyrrol-5-one
CID 56589945
7-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 89245804
1-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
CID 66880051
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
CID 141049801
(4R)-2-iodo-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 131850482
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
CID 118186347
methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
CID 11665473
7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,3a,4,6,7-hexahydro-1H-indene-4-carboxylic acid
CID 12944118

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).