5-benzoyl-2,3-dihydropyrrolizin-1-one

C14H11NO2 — CID 57357361

IUPAC5-benzoyl-2,3-dihydropyrrolizin-1-one
SMILESO=C1CCn2c1ccc2C(=O)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyNFKBMHXYCKRXPQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.31
Rot. Bonds2

About 5-benzoyl-2,3-dihydropyrrolizin-1-one

5-benzoyl-2,3-dihydropyrrolizin-1-one (PubChem CID 57357361) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-benzoyl-2,3-dihydropyrrolizin-1-one.

Molecular Properties

Compound Name5-benzoyl-2,3-dihydropyrrolizin-1-one
PubChem CID57357361
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name5-benzoyl-2,3-dihydropyrrolizin-1-one
SMILESO=C1CCn2c1ccc2C(=O)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyNFKBMHXYCKRXPQ-UHFFFAOYSA-N
XLogP2.31
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2,3-dihydropyrrolizin-1-one?
The IUPAC name of 5-benzoyl-2,3-dihydropyrrolizin-1-one (CID 57357361) is 5-benzoyl-2,3-dihydropyrrolizin-1-one.
What is the SMILES notation for 5-benzoyl-2,3-dihydropyrrolizin-1-one?
The canonical SMILES for 5-benzoyl-2,3-dihydropyrrolizin-1-one is O=C1CCn2c1ccc2C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-2,3-dihydropyrrolizin-1-one?
The InChIKey is NFKBMHXYCKRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 5-benzoyl-2,3-dihydropyrrolizin-1-one?
5-benzoyl-2,3-dihydropyrrolizin-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2,3-dihydropyrrolizin-1-one is sourced from PubChem (CID 57357361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).