2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one

C8H13NO2 — CID 67325317

IUPAC2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)C(O)C1C=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h3-6,8,11H,1-2H3,(H,9,10)
InChIKeyKEXLDCZOOSFIOH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds2

About 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one

2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one (PubChem CID 67325317) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one
PubChem CID67325317
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)C(O)C1C=CC(=O)N1
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h3-6,8,11H,1-2H3,(H,9,10)
InChIKeyKEXLDCZOOSFIOH-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one (CID 67325317) is 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one is CC(C)C(O)C1C=CC(=O)N1.
What is the InChIKey of 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is KEXLDCZOOSFIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h3-6,8,11H,1-2H3,(H,9,10).
What are the key properties of 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one?
2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 67325317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).