1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one

C15H19NO — CID 70672953

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(C2Cc3ccccc3C2)C1=O
InChIInChI=1S/C15H19NO/c1-2-11-7-8-16(15(11)17)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,2,7-10H2,1H3
InChIKeyJMFNKGCYSYJCTF-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one (PubChem CID 70672953) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one
PubChem CID70672953
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one
SMILESCCC1CCN(C2Cc3ccccc3C2)C1=O
InChIInChI=1S/C15H19NO/c1-2-11-7-8-16(15(11)17)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,2,7-10H2,1H3
InChIKeyJMFNKGCYSYJCTF-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one (CID 70672953) is 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one is CCC1CCN(C2Cc3ccccc3C2)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one?
The InChIKey is JMFNKGCYSYJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-11-7-8-16(15(11)17)14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-ethylpyrrolidin-2-one is sourced from PubChem (CID 70672953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).