(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide

C16H25N2O2P — CID 166922544

IUPAC(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide
SMILESCCN1CC/C=C\CCN(CC)P1(=O)Oc1ccccc1
InChIInChI=1S/C16H25N2O2P/c1-3-17-14-10-5-6-11-15-18(4-2)21(17,19)20-16-12-8-7-9-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3/b6-5-
InChIKeyHVLJCDANIFYKFA-WAYWQWQTSA-N
MW308.36 g/mol
LogP4.17
Rot. Bonds4

About (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide

(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide (PubChem CID 166922544) has the molecular formula C16H25N2O2P and a molecular weight of 308.36 g/mol. Its IUPAC name is (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide.

Molecular Properties

Compound Name(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide
PubChem CID166922544
Molecular FormulaC16H25N2O2P
Molecular Weight308.36 g/mol
Exact Mass308.17
IUPAC Name(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide
SMILESCCN1CC/C=C\CCN(CC)P1(=O)Oc1ccccc1
InChIInChI=1S/C16H25N2O2P/c1-3-17-14-10-5-6-11-15-18(4-2)21(17,19)20-16-12-8-7-9-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3/b6-5-
InChIKeyHVLJCDANIFYKFA-WAYWQWQTSA-N
XLogP4.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.17
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-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide?
The IUPAC name of (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide (CID 166922544) is (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide.
What is the SMILES notation for (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide?
The canonical SMILES for (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide is CCN1CC/C=C\CCN(CC)P1(=O)Oc1ccccc1.
What is the InChIKey of (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide?
The InChIKey is HVLJCDANIFYKFA-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H25N2O2P/c1-3-17-14-10-5-6-11-15-18(4-2)21(17,19)20-16-12-8-7-9-13-16/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3/b6-5-.
What are the key properties of (6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide?
(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide has a molecular weight of 308.36 g/mol, XLogP of 4.17, 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-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide is sourced from PubChem (CID 166922544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).