1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione

C19H15NO3 — CID 102113661

IUPAC1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H15NO3/c1-13-11-19(23-17(13)21)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10H,1,11-12H2
InChIKeyGPKUERAVBYIGTP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.93
Rot. Bonds2

About 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione

1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 102113661) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID102113661
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione
SMILESC=C1CC2(OC1=O)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H15NO3/c1-13-11-19(23-17(13)21)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10H,1,11-12H2
InChIKeyGPKUERAVBYIGTP-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione (CID 102113661) is 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione is C=C1CC2(OC1=O)C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is GPKUERAVBYIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-13-11-19(23-17(13)21)15-9-5-6-10-16(15)20(18(19)22)12-14-7-3-2-4-8-14/h2-10H,1,11-12H2.
What are the key properties of 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione?
1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 305.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 102113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).