1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione

C18H22N2O2 — CID 159303861

IUPAC1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC=C(CC)C1N(C)C(=O)CCC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H22N2O2/c1-4-12(5-2)16-18(11-10-15(21)20(16)3)13-8-6-7-9-14(13)19-17(18)22/h4,6-9,16H,5,10-11H2,1-3H3,(H,19,22)
InChIKeyLBQZDBIXHZKJOV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.85
Rot. Bonds2

About 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione

1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 159303861) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID159303861
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC=C(CC)C1N(C)C(=O)CCC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H22N2O2/c1-4-12(5-2)16-18(11-10-15(21)20(16)3)13-8-6-7-9-14(13)19-17(18)22/h4,6-9,16H,5,10-11H2,1-3H3,(H,19,22)
InChIKeyLBQZDBIXHZKJOV-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 159303861) is 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is CC=C(CC)C1N(C)C(=O)CCC12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is LBQZDBIXHZKJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-12(5-2)16-18(11-10-15(21)20(16)3)13-8-6-7-9-14(13)19-17(18)22/h4,6-9,16H,5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 298.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 159303861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).