5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C14H16N2O3 — CID 110742280

IUPAC5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCC(=O)N1
InChIInChI=1S/C14H16N2O3/c1-19-10-2-4-12-9(8-10)6-7-16(12)14(18)11-3-5-13(17)15-11/h2,4,8,11H,3,5-7H2,1H3,(H,15,17)
InChIKeyBKRDHGSKQYEONG-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.86
Rot. Bonds2

About 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 110742280) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID110742280
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCC(=O)N1
InChIInChI=1S/C14H16N2O3/c1-19-10-2-4-12-9(8-10)6-7-16(12)14(18)11-3-5-13(17)15-11/h2,4,8,11H,3,5-7H2,1H3,(H,15,17)
InChIKeyBKRDHGSKQYEONG-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 110742280) is 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is COc1ccc2c(c1)CCN2C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BKRDHGSKQYEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-10-2-4-12-9(8-10)6-7-16(12)14(18)11-3-5-13(17)15-11/h2,4,8,11H,3,5-7H2,1H3,(H,15,17).
What are the key properties of 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 260.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110742280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).