4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide

C15H22NO2P — CID 500039

IUPAC4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
SMILESC=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C
InChIInChI=1S/C15H22NO2P/c1-5-11-19(17)16(12(2)3)13(4)15(18-19)14-9-7-6-8-10-14/h5-10,12-13,15H,1,11H2,2-4H3
InChIKeyGJFLEVRQAHBHOM-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.24
Rot. Bonds4

About 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide

4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide (PubChem CID 500039) has the molecular formula C15H22NO2P and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
PubChem CID500039
Molecular FormulaC15H22NO2P
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide
SMILESC=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C
InChIInChI=1S/C15H22NO2P/c1-5-11-19(17)16(12(2)3)13(4)15(18-19)14-9-7-6-8-10-14/h5-10,12-13,15H,1,11H2,2-4H3
InChIKeyGJFLEVRQAHBHOM-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide?
The IUPAC name of 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide (CID 500039) is 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide.
What is the SMILES notation for 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide?
The canonical SMILES for 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide is C=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C.
What is the InChIKey of 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide?
The InChIKey is GJFLEVRQAHBHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO2P/c1-5-11-19(17)16(12(2)3)13(4)15(18-19)14-9-7-6-8-10-14/h5-10,12-13,15H,1,11H2,2-4H3.
What are the key properties of 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide?
4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide has a molecular weight of 279.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-propan-2-yl-2-prop-2-enyl-1,3,2lambda5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 500039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).