6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one

C22H23NO2 — CID 59532358

IUPAC6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccccc2)CCN(C2CC2c2ccccc2)C(=O)O1
InChIInChI=1S/C22H23NO2/c1-2-13-22(18-11-7-4-8-12-18)14-15-23(21(24)25-22)20-16-19(20)17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2
InChIKeyVWSPDLDMYIHVOL-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.86
Rot. Bonds5

About 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one

6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 59532358) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID59532358
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccccc2)CCN(C2CC2c2ccccc2)C(=O)O1
InChIInChI=1S/C22H23NO2/c1-2-13-22(18-11-7-4-8-12-18)14-15-23(21(24)25-22)20-16-19(20)17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2
InChIKeyVWSPDLDMYIHVOL-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one (CID 59532358) is 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one is C=CCC1(c2ccccc2)CCN(C2CC2c2ccccc2)C(=O)O1.
What is the InChIKey of 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is VWSPDLDMYIHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-13-22(18-11-7-4-8-12-18)14-15-23(21(24)25-22)20-16-19(20)17-9-5-3-6-10-17/h2-12,19-20H,1,13-16H2.
What are the key properties of 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one?
6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(2-phenylcyclopropyl)-6-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 59532358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).