2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one

C12H21NO3 — CID 129196549

IUPAC2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)OCCC(C)(C)N1C(=O)C=CC1O
InChIInChI=1S/C12H21NO3/c1-9(2)16-8-7-12(3,4)13-10(14)5-6-11(13)15/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyAHHWKGZXCUKLBS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.30
Rot. Bonds5

About 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one

2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one (PubChem CID 129196549) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one
PubChem CID129196549
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one
SMILESCC(C)OCCC(C)(C)N1C(=O)C=CC1O
InChIInChI=1S/C12H21NO3/c1-9(2)16-8-7-12(3,4)13-10(14)5-6-11(13)15/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyAHHWKGZXCUKLBS-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one (CID 129196549) is 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one is CC(C)OCCC(C)(C)N1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one?
The InChIKey is AHHWKGZXCUKLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)16-8-7-12(3,4)13-10(14)5-6-11(13)15/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one?
2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one has a molecular weight of 227.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methyl-4-propan-2-yloxybutan-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 129196549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).