(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one

C26H23NO3 — CID 54761735

IUPAC(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)C21CC/C(=C/c2ccccc2)O1
InChIInChI=1S/C26H23NO3/c1-29-21-12-13-23-24(17-21)27(18-20-10-6-3-7-11-20)25(28)26(23)15-14-22(30-26)16-19-8-4-2-5-9-19/h2-13,16-17H,14-15,18H2,1H3/b22-16-
InChIKeyXPERGUWDXVDMCU-JWGURIENSA-N
MW397.47 g/mol
LogP5.29
Rot. Bonds4

About (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one

(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one (PubChem CID 54761735) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one
PubChem CID54761735
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)C21CC/C(=C/c2ccccc2)O1
InChIInChI=1S/C26H23NO3/c1-29-21-12-13-23-24(17-21)27(18-20-10-6-3-7-11-20)25(28)26(23)15-14-22(30-26)16-19-8-4-2-5-9-19/h2-13,16-17H,14-15,18H2,1H3/b22-16-
InChIKeyXPERGUWDXVDMCU-JWGURIENSA-N
XLogP5.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one
CID 163964675
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
(3S)-1-benzyl-3-hydroxy-6-methoxy-3-phenacylindol-2-one
CID 72697841
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 76801340
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
CID 44581101
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
CID 11014506
1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
CID 166128782
2-[(3S)-1-benzyl-5-methoxy-3-(3-methylbut-2-enyl)-2-oxoindol-3-yl]acetic acid
CID 10643437
(3R)-1-benzyl-3-hydroxy-5-methoxy-3-[(2R)-2-phenylbut-3-enyl]indol-2-one
CID 134952514
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046

Frequently Asked Questions

What is the IUPAC name of (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one (CID 54761735) is (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one is COc1ccc2c(c1)N(Cc1ccccc1)C(=O)C21CC/C(=C/c2ccccc2)O1.
What is the InChIKey of (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one?
The InChIKey is XPERGUWDXVDMCU-JWGURIENSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-21-12-13-23-24(17-21)27(18-20-10-6-3-7-11-20)25(28)26(23)15-14-22(30-26)16-19-8-4-2-5-9-19/h2-13,16-17H,14-15,18H2,1H3/b22-16-.
What are the key properties of (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one?
(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 397.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 54761735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).