3-phenylmethoxy-1,2-dihydropyrrol-5-one

C11H11NO2 — CID 2724741

IUPAC3-phenylmethoxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCc2ccccc2)CN1
InChIInChI=1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13)
InChIKeyFIPLVTFTJOOADU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.22
Rot. Bonds3

About 3-phenylmethoxy-1,2-dihydropyrrol-5-one

3-phenylmethoxy-1,2-dihydropyrrol-5-one (PubChem CID 2724741) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-phenylmethoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-phenylmethoxy-1,2-dihydropyrrol-5-one
PubChem CID2724741
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-phenylmethoxy-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCc2ccccc2)CN1
InChIInChI=1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13)
InChIKeyFIPLVTFTJOOADU-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-phenylmethoxy-1,2-dihydropyrrol-5-one (CID 2724741) is 3-phenylmethoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-phenylmethoxy-1,2-dihydropyrrol-5-one is O=C1C=C(OCc2ccccc2)CN1.
What is the InChIKey of 3-phenylmethoxy-1,2-dihydropyrrol-5-one?
The InChIKey is FIPLVTFTJOOADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-6-10(7-12-11)14-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,12,13).
What are the key properties of 3-phenylmethoxy-1,2-dihydropyrrol-5-one?
3-phenylmethoxy-1,2-dihydropyrrol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 2724741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).