3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one

C14H13NO2 — CID 142674017

IUPAC3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one
SMILESO=C1Cc2cccn2C1C(O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-12-9-11-7-4-8-15(11)13(12)14(17)10-5-2-1-3-6-10/h1-8,13-14,17H,9H2
InChIKeyJHNNTCCGUVYRHT-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.89
Rot. Bonds2

About 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one

3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one (PubChem CID 142674017) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one
PubChem CID142674017
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one
SMILESO=C1Cc2cccn2C1C(O)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-12-9-11-7-4-8-15(11)13(12)14(17)10-5-2-1-3-6-10/h1-8,13-14,17H,9H2
InChIKeyJHNNTCCGUVYRHT-UHFFFAOYSA-N
XLogP1.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one (CID 142674017) is 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one is O=C1Cc2cccn2C1C(O)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one?
The InChIKey is JHNNTCCGUVYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-12-9-11-7-4-8-15(11)13(12)14(17)10-5-2-1-3-6-10/h1-8,13-14,17H,9H2.
What are the key properties of 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one?
3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one has a molecular weight of 227.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-1,3-dihydropyrrolizin-2-one is sourced from PubChem (CID 142674017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).