ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium

C23H23N2O4Y- — CID 59406641

IUPACethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium
SMILESCCOC(=O)CCc1c(/C=C2\C(=O)Nc3c[c-]c(C)cc32)[nH]c2c1C(=O)CCC2.[Y]
InChIInChI=1S/C23H23N2O4.Y/c1-3-29-21(27)10-8-14-19(24-18-5-4-6-20(26)22(14)18)12-16-15-11-13(2)7-9-17(15)25-23(16)28;/h9,11-12,24H,3-6,8,10H2,1-2H3,(H,25,28);/q-1;/b16-12-;
InChIKeyZXJDEAPQWOCDHA-PXJKFVASSA-N
MW480.35 g/mol
LogP3.63
Rot. Bonds5

About ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium

ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium (PubChem CID 59406641) has the molecular formula C23H23N2O4Y- and a molecular weight of 480.35 g/mol. Its IUPAC name is ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium.

Molecular Properties

Compound Nameethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium
PubChem CID59406641
Molecular FormulaC23H23N2O4Y-
Molecular Weight480.35 g/mol
Exact Mass480.07
IUPAC Nameethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium
SMILESCCOC(=O)CCc1c(/C=C2\C(=O)Nc3c[c-]c(C)cc32)[nH]c2c1C(=O)CCC2.[Y]
InChIInChI=1S/C23H23N2O4.Y/c1-3-29-21(27)10-8-14-19(24-18-5-4-6-20(26)22(14)18)12-16-15-11-13(2)7-9-17(15)25-23(16)28;/h9,11-12,24H,3-6,8,10H2,1-2H3,(H,25,28);/q-1;/b16-12-;
InChIKeyZXJDEAPQWOCDHA-PXJKFVASSA-N
XLogP3.63
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium 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

ethyl 3-[2-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 59406604
ethyl 3-[2-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 46846542
ethyl 3-[4-oxo-2-[(Z)-[2-oxo-5-(pyridin-4-ylmethylideneamino)-1H-indol-3-ylidene]methyl]-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 59406631
ethyl 3-[2-[(Z)-[5-[(4-methoxyphenyl)methylamino]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 46846547
ethyl 3-[2-[(Z)-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 59406634
ethyl 3-[2-[(Z)-[6-[4-[3-[2-[(Z)-[5-(3,4-dimethoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoyloxy]phenyl]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate
CID 173111357
3-[2-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid
CID 68791797
3-[2-[[5-(methylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid
CID 68789962
3-[2-[[5-[(4-methoxybenzoyl)amino]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid
CID 68789647
3-[[3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxo-1,5,6,7-tetrahydroindol-2-yl]methylidene]-5-pyrrolidin-1-ylsulfonyl-1H-indol-2-one
CID 68789979
3-[2-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid
CID 68791156
5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[4-oxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,5,6,7-tetrahydroindol-2-yl]methylidene]-1H-indol-2-one
CID 68791012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium?
The IUPAC name of ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium (CID 59406641) is ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium.
What is the SMILES notation for ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium?
The canonical SMILES for ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium is CCOC(=O)CCc1c(/C=C2\C(=O)Nc3c[c-]c(C)cc32)[nH]c2c1C(=O)CCC2.[Y].
What is the InChIKey of ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium?
The InChIKey is ZXJDEAPQWOCDHA-PXJKFVASSA-N. The full InChI is InChI=1S/C23H23N2O4.Y/c1-3-29-21(27)10-8-14-19(24-18-5-4-6-20(26)22(14)18)12-16-15-11-13(2)7-9-17(15)25-23(16)28;/h9,11-12,24H,3-6,8,10H2,1-2H3,(H,25,28);/q-1;/b16-12-;.
What are the key properties of ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium?
ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium has a molecular weight of 480.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(Z)-(5-methyl-2-oxo-1,6-dihydroindol-6-id-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate;yttrium is sourced from PubChem (CID 59406641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).