(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one

C18H23NO4 — CID 91885040

IUPAC(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
SMILESCC1=C/C(=C/CCCN2CCC[C@@H]2[C@H]2C=C(C)C(=O)O2)OC1=O
InChIInChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16-/m1/s1
InChIKeyHSICZNIIIPFAAO-UPYRFZFASA-N
MW317.39 g/mol
LogP2.49
Rot. Bonds5

About (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one

(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one (PubChem CID 91885040) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
PubChem CID91885040
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
SMILESCC1=C/C(=C/CCCN2CCC[C@@H]2[C@H]2C=C(C)C(=O)O2)OC1=O
InChIInChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16-/m1/s1
InChIKeyHSICZNIIIPFAAO-UPYRFZFASA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Asperumine
CID 6443107
8-Episarracine
CID 91753674
(5E)-3-methyl-5-[4-[(2S)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 11834089
(5E)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 101190515
(5Z)-3-Methyl-5-[4-[(2S)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 10663298
rel-(5Z)-5-(4-((2R)-2-((2S)-2,5-Dihydro-4-methyl-5-oxo-2-furanyl)-1-pyrrolidinyl)butylidene)-3-methyl-2(5H)-furanone
CID 10734257
(5E)-3-methyl-5-[4-[(2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 11726866
(5E)-3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 11953652
3-methyl-5-[4-[2-(4-methyl-5-oxo-2H-uran-2-yl)pyrrolidin-1-yl]butylidene]uran-2-one
CID 73075109
Rel-(Z)-3-methyl-5-(4-((R)-2-((S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)pyrrolidin-1-yl)butylidene)furan-2(5H)-one
CID 91885041
3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 129317135
3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
CID 132587042

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one?
The IUPAC name of (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one (CID 91885040) is (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one?
The canonical SMILES for (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one is CC1=C/C(=C/CCCN2CCC[C@@H]2[C@H]2C=C(C)C(=O)O2)OC1=O.
What is the InChIKey of (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one?
The InChIKey is HSICZNIIIPFAAO-UPYRFZFASA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16-/m1/s1.
What are the key properties of (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one?
(5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one is sourced from PubChem (CID 91885040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).