4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one

C23H21NO4 — CID 22937576

IUPAC4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2ccc(Cc3cccc4ccccc34)o2)=C(O)C1=O
InChIInChI=1S/C23H21NO4/c1-14(2)24-13-19(22(26)23(24)27)21(25)20-11-10-17(28-20)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,14,26H,12-13H2,1-2H3
InChIKeyNUJPGSKRELRPJX-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.27
Rot. Bonds5

About 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one

4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 22937576) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID22937576
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)N1CC(C(=O)c2ccc(Cc3cccc4ccccc34)o2)=C(O)C1=O
InChIInChI=1S/C23H21NO4/c1-14(2)24-13-19(22(26)23(24)27)21(25)20-11-10-17(28-20)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,14,26H,12-13H2,1-2H3
InChIKeyNUJPGSKRELRPJX-UHFFFAOYSA-N
XLogP4.27
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one (CID 22937576) is 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one is CC(C)N1CC(C(=O)c2ccc(Cc3cccc4ccccc34)o2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is NUJPGSKRELRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14(2)24-13-19(22(26)23(24)27)21(25)20-11-10-17(28-20)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,14,26H,12-13H2,1-2H3.
What are the key properties of 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one?
4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 375.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-(naphthalen-1-ylmethyl)furan-2-carbonyl]-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 22937576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).