2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C18H23NO5 — CID 108655949

IUPAC2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccco1
InChIInChI=1S/C18H23NO5/c1-11(2)9-13(20)15-16(14-6-4-8-24-14)19(18(22)17(15)21)10-12-5-3-7-23-12/h4,6,8,11-12,16,21H,3,5,7,9-10H2,1-2H3
InChIKeyNMDJGXBQQXCHFY-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.77
Rot. Bonds6

About 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108655949) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108655949
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccco1
InChIInChI=1S/C18H23NO5/c1-11(2)9-13(20)15-16(14-6-4-8-24-14)19(18(22)17(15)21)10-12-5-3-7-23-12/h4,6,8,11-12,16,21H,3,5,7,9-10H2,1-2H3
InChIKeyNMDJGXBQQXCHFY-UHFFFAOYSA-N
XLogP2.77
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627161
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634205
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108612339
2-(furan-2-yl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859945
2-(furan-2-yl)-4-hydroxy-1-(3-methoxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859958
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
1-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108608475
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080434
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
2-[4-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108607699
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108607873

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 108655949) is 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is NMDJGXBQQXCHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11(2)9-13(20)15-16(14-6-4-8-24-14)19(18(22)17(15)21)10-12-5-3-7-23-12/h4,6,8,11-12,16,21H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 333.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).