1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

C15H16N2O2 — CID 5305419

IUPAC1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C15H16N2O2/c1-16-10-12(11-6-2-3-7-13(11)16)14(18)15(19)17-8-4-5-9-17/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyXUOQXJAMWYWMIL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.98
Rot. Bonds2

About 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 5305419) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID5305419
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C15H16N2O2/c1-16-10-12(11-6-2-3-7-13(11)16)14(18)15(19)17-8-4-5-9-17/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyXUOQXJAMWYWMIL-UHFFFAOYSA-N
XLogP1.98
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (CID 5305419) is 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is XUOQXJAMWYWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-16-10-12(11-6-2-3-7-13(11)16)14(18)15(19)17-8-4-5-9-17/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 256.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 5305419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).