(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione

C23H21NO4 — CID 108660611

IUPAC(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(C)o1
InChIInChI=1S/C23H21NO4/c1-3-13-24-20(18-12-11-14(2)28-18)19(22(26)23(24)27)21(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-12,20,25H,3,13H2,1-2H3/b21-19-
InChIKeyMQRCUGJFHVVDJV-VZCXRCSSSA-N
MW375.42 g/mol
LogP4.57
Rot. Bonds4

About (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione (PubChem CID 108660611) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione
PubChem CID108660611
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(C)o1
InChIInChI=1S/C23H21NO4/c1-3-13-24-20(18-12-11-14(2)28-18)19(22(26)23(24)27)21(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-12,20,25H,3,13H2,1-2H3/b21-19-
InChIKeyMQRCUGJFHVVDJV-VZCXRCSSSA-N
XLogP4.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108658252
(4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108659035
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(4-propan-2-ylphenyl)-1-propylpyrrolidine-2,3-dione
CID 108643965
(4Z)-1-[2-(dimethylamino)ethyl]-5-(furan-2-yl)-4-[hydroxy(naphthalen-1-yl)methylidene]pyrrolidine-2,3-dione
CID 108656555
(4Z)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione
CID 108660587
(4Z)-1-butyl-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108620013
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(3-propoxyphenyl)-1-propylpyrrolidine-2,3-dione
CID 108664483
(4Z)-1-[2-(diethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108660753
(4Z)-5-(furan-2-yl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108653067
(4Z)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione
CID 108660586
(5R)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 25304922
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-pentylpyrrolidine-2,3-dione
CID 108660700

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione (CID 108660611) is (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione is CCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(C)o1.
What is the InChIKey of (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione?
The InChIKey is MQRCUGJFHVVDJV-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H21NO4/c1-3-13-24-20(18-12-11-14(2)28-18)19(22(26)23(24)27)21(25)17-10-6-8-15-7-4-5-9-16(15)17/h4-12,20,25H,3,13H2,1-2H3/b21-19-.
What are the key properties of (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione has a molecular weight of 375.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)-1-propylpyrrolidine-2,3-dione is sourced from PubChem (CID 108660611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).