1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide

C9H19N2O2P — CID 88832521

IUPAC1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCCN1CCN(CC)P1(=O)[C@@H]1O[C@@H]1C
InChIInChI=1S/C9H19N2O2P/c1-4-10-6-7-11(5-2)14(10,12)9-8(3)13-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyMWJUJWGGCGSEMY-BDAKNGLRSA-N
MW218.24 g/mol
LogP1.58
Rot. Bonds3

About 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide

1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 88832521) has the molecular formula C9H19N2O2P and a molecular weight of 218.24 g/mol. Its IUPAC name is 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID88832521
Molecular FormulaC9H19N2O2P
Molecular Weight218.24 g/mol
Exact Mass218.12
IUPAC Name1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCCN1CCN(CC)P1(=O)[C@@H]1O[C@@H]1C
InChIInChI=1S/C9H19N2O2P/c1-4-10-6-7-11(5-2)14(10,12)9-8(3)13-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyMWJUJWGGCGSEMY-BDAKNGLRSA-N
XLogP1.58
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide (CID 88832521) is 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide is CCN1CCN(CC)P1(=O)[C@@H]1O[C@@H]1C.
What is the InChIKey of 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is MWJUJWGGCGSEMY-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19N2O2P/c1-4-10-6-7-11(5-2)14(10,12)9-8(3)13-9/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide?
1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 218.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 88832521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).