1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H20N2O2 — CID 155956164

IUPAC1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-10-11-18(17-7-3-2-6-16(15)17)21(26)25-13-12-23(14-25)19-8-4-5-9-20(19)24-22(23)27/h2-11H,12-14H2,1H3,(H,24,27)
InChIKeyDDBGKXNVSJGNNT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.88
Rot. Bonds1

About 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 155956164) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID155956164
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-10-11-18(17-7-3-2-6-16(15)17)21(26)25-13-12-23(14-25)19-8-4-5-9-20(19)24-22(23)27/h2-11H,12-14H2,1H3,(H,24,27)
InChIKeyDDBGKXNVSJGNNT-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 155956164) is 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1ccc(C(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccccc12.
What is the InChIKey of 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DDBGKXNVSJGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-10-11-18(17-7-3-2-6-16(15)17)21(26)25-13-12-23(14-25)19-8-4-5-9-20(19)24-22(23)27/h2-11H,12-14H2,1H3,(H,24,27).
What are the key properties of 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 356.43 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 155956164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).