(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one

C16H17NO4 — CID 54704540

IUPAC(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
SMILESCCCC(=O)C1=C(O)/C(=C/c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C16H17NO4/c1-3-4-13(18)14-15(19)12(17-16(14)20)9-10-5-7-11(21-2)8-6-10/h5-9,19H,3-4H2,1-2H3,(H,17,20)/b12-9-
InChIKeyZDSXBUOINHNHGD-XFXZXTDPSA-N
MW287.32 g/mol
LogP2.35
Rot. Bonds5

About (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one

(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one (PubChem CID 54704540) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
PubChem CID54704540
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
SMILESCCCC(=O)C1=C(O)/C(=C/c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C16H17NO4/c1-3-4-13(18)14-15(19)12(17-16(14)20)9-10-5-7-11(21-2)8-6-10/h5-9,19H,3-4H2,1-2H3,(H,17,20)/b12-9-
InChIKeyZDSXBUOINHNHGD-XFXZXTDPSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 135802020
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
CID 3480313
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
CID 67614037
methyl (5E)-5-benzylidene-4-methoxy-2-oxopyrrole-3-carboxylate
CID 12619210

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The IUPAC name of (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one (CID 54704540) is (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one.
What is the SMILES notation for (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The canonical SMILES for (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one is CCCC(=O)C1=C(O)/C(=C/c2ccc(OC)cc2)NC1=O.
What is the InChIKey of (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
The InChIKey is ZDSXBUOINHNHGD-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-4-13(18)14-15(19)12(17-16(14)20)9-10-5-7-11(21-2)8-6-10/h5-9,19H,3-4H2,1-2H3,(H,17,20)/b12-9-.
What are the key properties of (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one?
(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one is sourced from PubChem (CID 54704540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).