2-methyl-2-piperidin-1-ylindene-1,3-dione

C15H17NO2 — CID 902325

IUPAC2-methyl-2-piperidin-1-ylindene-1,3-dione
SMILESCC1(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO2/c1-15(16-9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNYRRKTDIRMAVDF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds1

About 2-methyl-2-piperidin-1-ylindene-1,3-dione

2-methyl-2-piperidin-1-ylindene-1,3-dione (PubChem CID 902325) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylindene-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylindene-1,3-dione
PubChem CID902325
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-methyl-2-piperidin-1-ylindene-1,3-dione
SMILESCC1(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO2/c1-15(16-9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyNYRRKTDIRMAVDF-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylindene-1,3-dione?
The IUPAC name of 2-methyl-2-piperidin-1-ylindene-1,3-dione (CID 902325) is 2-methyl-2-piperidin-1-ylindene-1,3-dione.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylindene-1,3-dione?
The canonical SMILES for 2-methyl-2-piperidin-1-ylindene-1,3-dione is CC1(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methyl-2-piperidin-1-ylindene-1,3-dione?
The InChIKey is NYRRKTDIRMAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(16-9-5-2-6-10-16)13(17)11-7-3-4-8-12(11)14(15)18/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-2-piperidin-1-ylindene-1,3-dione?
2-methyl-2-piperidin-1-ylindene-1,3-dione has a molecular weight of 243.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylindene-1,3-dione is sourced from PubChem (CID 902325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).