3-phenylmethoxy-1H-azet-2-one

C10H9NO2 — CID 174589199

IUPAC3-phenylmethoxy-1H-azet-2-one
SMILESO=C1NC=C1OCc1ccccc1
InChIInChI=1S/C10H9NO2/c12-10-9(6-11-10)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyWFECAXSFTPPDQA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.17
Rot. Bonds3

About 3-phenylmethoxy-1H-azet-2-one

3-phenylmethoxy-1H-azet-2-one (PubChem CID 174589199) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-phenylmethoxy-1H-azet-2-one.

Molecular Properties

Compound Name3-phenylmethoxy-1H-azet-2-one
PubChem CID174589199
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-phenylmethoxy-1H-azet-2-one
SMILESO=C1NC=C1OCc1ccccc1
InChIInChI=1S/C10H9NO2/c12-10-9(6-11-10)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)
InChIKeyWFECAXSFTPPDQA-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1H-azet-2-one?
The IUPAC name of 3-phenylmethoxy-1H-azet-2-one (CID 174589199) is 3-phenylmethoxy-1H-azet-2-one.
What is the SMILES notation for 3-phenylmethoxy-1H-azet-2-one?
The canonical SMILES for 3-phenylmethoxy-1H-azet-2-one is O=C1NC=C1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-1H-azet-2-one?
The InChIKey is WFECAXSFTPPDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-9(6-11-10)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12).
What are the key properties of 3-phenylmethoxy-1H-azet-2-one?
3-phenylmethoxy-1H-azet-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1H-azet-2-one is sourced from PubChem (CID 174589199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).