(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide

C15H23N2O2P — CID 169073830

IUPAC(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide
SMILESCCN1C/C=C\CCN(CC)P1(=O)Oc1ccccc1
InChIInChI=1S/C15H23N2O2P/c1-3-16-13-9-6-10-14-17(4-2)20(16,18)19-15-11-7-5-8-12-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3/b9-6-
InChIKeyVXOCHRJMXDKCRN-TWGQIWQCSA-N
MW294.33 g/mol
LogP3.78
Rot. Bonds4

About (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide

(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide (PubChem CID 169073830) has the molecular formula C15H23N2O2P and a molecular weight of 294.33 g/mol. Its IUPAC name is (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide.

Molecular Properties

Compound Name(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide
PubChem CID169073830
Molecular FormulaC15H23N2O2P
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide
SMILESCCN1C/C=C\CCN(CC)P1(=O)Oc1ccccc1
InChIInChI=1S/C15H23N2O2P/c1-3-16-13-9-6-10-14-17(4-2)20(16,18)19-15-11-7-5-8-12-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3/b9-6-
InChIKeyVXOCHRJMXDKCRN-TWGQIWQCSA-N
XLogP3.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.78
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 (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide?
The IUPAC name of (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide (CID 169073830) is (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide.
What is the SMILES notation for (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide?
The canonical SMILES for (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide is CCN1C/C=C\CCN(CC)P1(=O)Oc1ccccc1.
What is the InChIKey of (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide?
The InChIKey is VXOCHRJMXDKCRN-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H23N2O2P/c1-3-16-13-9-6-10-14-17(4-2)20(16,18)19-15-11-7-5-8-12-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3/b9-6-.
What are the key properties of (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide?
(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide has a molecular weight of 294.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide is sourced from PubChem (CID 169073830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).