(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione

C24H27N3O5 — CID 28876082

IUPAC(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c2ccccc21
InChIInChI=1S/C24H27N3O5/c1-5-12-26-17-9-7-6-8-16(17)24(23(26)31)19(20(28)18-11-10-15(2)32-18)21(29)22(30)27(24)14-13-25(3)4/h6-11,29H,5,12-14H2,1-4H3/t24-/m0/s1
InChIKeyFTNBTTWFVSCNHR-DEOSSOPVSA-N
MW437.50 g/mol
LogP2.64
Rot. Bonds7

About (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione

(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 28876082) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
PubChem CID28876082
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
SMILESCCCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c2ccccc21
InChIInChI=1S/C24H27N3O5/c1-5-12-26-17-9-7-6-8-16(17)24(23(26)31)19(20(28)18-11-10-15(2)32-18)21(29)22(30)27(24)14-13-25(3)4/h6-11,29H,5,12-14H2,1-4H3/t24-/m0/s1
InChIKeyFTNBTTWFVSCNHR-DEOSSOPVSA-N
XLogP2.64
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[2-(dimethylamino)ethyl]-3'-hydroxy-1-methyl-4'-(5-methylfuran-2-carbonyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
CID 4269685
(3S)-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ium-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
CID 2067875
(3S)-1-ethyl-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ium-4-ylpropyl)spiro[indole-3,5'-pyrrole]-2,2'-dione
CID 6997456
3-[(3S)-4'-hydroxy-1-methyl-3'-(5-methylfuran-2-carbonyl)-2,5'-dioxospiro[indole-3,2'-pyrrole]-1'-yl]propyl-dimethylazanium
CID 6854843
4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-1-ethyl-3'-hydroxyspiro[indole-3,5'-pyrrole]-2,2'-dione
CID 4023603
(3S)-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1'-(3-morpholin-4-ylpropyl)-1-prop-2-enylspiro[indole-3,5'-pyrrole]-2,2'-dione
CID 28951218
(3R)-4'-(1-benzofuran-2-carbonyl)-3'-hydroxy-1'-(3-morpholin-4-ylpropyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione
CID 28922353
(3S)-1'-[3-(dimethylamino)propyl]-4'-[hydroxy-(4-methoxyphenyl)methylidene]-1-propylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 31614817
1'-[3-(dimethylamino)propyl]-4'-[(4-fluorophenyl)-hydroxymethylidene]-1-propylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 4798125
(3S,4'E)-4'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-[3-(dimethylamino)propyl]-1-propylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 98328903
(2R)-1-[2-(dimethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 7274659
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione (CID 28876082) is (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione is CCCN1C(=O)[C@@]2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c2ccccc21.
What is the InChIKey of (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is FTNBTTWFVSCNHR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-12-26-17-9-7-6-8-16(17)24(23(26)31)19(20(28)18-11-10-15(2)32-18)21(29)22(30)27(24)14-13-25(3)4/h6-11,29H,5,12-14H2,1-4H3/t24-/m0/s1.
What are the key properties of (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione?
(3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 437.50 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-[2-(dimethylamino)ethyl]-3'-hydroxy-4'-(5-methylfuran-2-carbonyl)-1-propylspiro[indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 28876082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).