4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C18H24N2O4 — CID 108625157

IUPAC4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccn1
InChIInChI=1S/C18H24N2O4/c1-11(2)16(21)14-15(13-7-5-6-8-19-13)20(18(23)17(14)22)9-10-24-12(3)4/h5-8,11-12,15,22H,9-10H2,1-4H3
InChIKeyAPNLJCRVUIDYGD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds7

About 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one

4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 108625157) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID108625157
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccn1
InChIInChI=1S/C18H24N2O4/c1-11(2)16(21)14-15(13-7-5-6-8-19-13)20(18(23)17(14)22)9-10-24-12(3)4/h5-8,11-12,15,22H,9-10H2,1-4H3
InChIKeyAPNLJCRVUIDYGD-UHFFFAOYSA-N
XLogP2.43
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625161
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627331
4-hydroxy-3-(3-phenylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625175
3-(furan-2-carbonyl)-4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628215
4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 5306831
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625184
4-hydroxy-3-(2-methylpropanoyl)-1-(3-propan-2-yloxypropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631693
4-hydroxy-3-(2-methylpropanoyl)-1-phenyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626200
4-hydroxy-1-(2-methoxyphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108626548
4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-4-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108634366
3-acetyl-4-hydroxy-1-octyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 4302366
4-hydroxy-1-(4-methylphenyl)-3-(2-methylpropanoyl)-2-pyridin-2-yl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 108625157) is 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is CC(C)OCCN1C(=O)C(O)=C(C(=O)C(C)C)C1c1ccccn1.
What is the InChIKey of 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is APNLJCRVUIDYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(2)16(21)14-15(13-7-5-6-8-19-13)20(18(23)17(14)22)9-10-24-12(3)4/h5-8,11-12,15,22H,9-10H2,1-4H3.
What are the key properties of 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 332.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methylpropanoyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108625157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).