7-pyrrolidin-1-yl-2,3-dihydroinden-1-one

C13H15NO — CID 112708995

IUPAC7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(N3CCCC3)c21
InChIInChI=1S/C13H15NO/c15-12-7-6-10-4-3-5-11(13(10)12)14-8-1-2-9-14/h3-5H,1-2,6-9H2
InChIKeyJJCDNCHOEOZWTB-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds1

About 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one

7-pyrrolidin-1-yl-2,3-dihydroinden-1-one (PubChem CID 112708995) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
PubChem CID112708995
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(N3CCCC3)c21
InChIInChI=1S/C13H15NO/c15-12-7-6-10-4-3-5-11(13(10)12)14-8-1-2-9-14/h3-5H,1-2,6-9H2
InChIKeyJJCDNCHOEOZWTB-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The IUPAC name of 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one (CID 112708995) is 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one is O=C1CCc2cccc(N3CCCC3)c21.
What is the InChIKey of 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The InChIKey is JJCDNCHOEOZWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-7-6-10-4-3-5-11(13(10)12)14-8-1-2-9-14/h3-5H,1-2,6-9H2.
What are the key properties of 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
7-pyrrolidin-1-yl-2,3-dihydroinden-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 112708995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).