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

C19H19NO — CID 2768747

IUPAC3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccccc2)c2cccc(N3CCCC3)c21
InChIInChI=1S/C19H19NO/c21-18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(19(15)18)20-11-4-5-12-20/h1-3,6-10,16H,4-5,11-13H2
InChIKeyACHNSUZRNPPIPW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.01
Rot. Bonds2

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

3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one (PubChem CID 2768747) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
PubChem CID2768747
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one
SMILESO=C1CC(c2ccccc2)c2cccc(N3CCCC3)c21
InChIInChI=1S/C19H19NO/c21-18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(19(15)18)20-11-4-5-12-20/h1-3,6-10,16H,4-5,11-13H2
InChIKeyACHNSUZRNPPIPW-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The IUPAC name of 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one (CID 2768747) is 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one is O=C1CC(c2ccccc2)c2cccc(N3CCCC3)c21.
What is the InChIKey of 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
The InChIKey is ACHNSUZRNPPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c21-18-13-16(14-7-2-1-3-8-14)15-9-6-10-17(19(15)18)20-11-4-5-12-20/h1-3,6-10,16H,4-5,11-13H2.
What are the key properties of 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one?
3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-pyrrolidin-1-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 2768747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).