2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide

C3H9N2O2P — CID 89263058

IUPAC2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCN1CCNP1(=O)O
InChIInChI=1S/C3H9N2O2P/c1-5-3-2-4-8(5,6)7/h2-3H2,1H3,(H2,4,6,7)
InChIKeyKLDLDRAUTXQSIP-UHFFFAOYSA-N
MW136.09 g/mol
LogP-0.38
Rot. Bonds

About 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide

2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 89263058) has the molecular formula C3H9N2O2P and a molecular weight of 136.09 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID89263058
Molecular FormulaC3H9N2O2P
Molecular Weight136.09 g/mol
Exact Mass136.04
IUPAC Name2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCN1CCNP1(=O)O
InChIInChI=1S/C3H9N2O2P/c1-5-3-2-4-8(5,6)7/h2-3H2,1H3,(H2,4,6,7)
InChIKeyKLDLDRAUTXQSIP-UHFFFAOYSA-N
XLogP-0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 89263058) is 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide is CN1CCNP1(=O)O.
What is the InChIKey of 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is KLDLDRAUTXQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2P/c1-5-3-2-4-8(5,6)7/h2-3H2,1H3,(H2,4,6,7).
What are the key properties of 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 136.09 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 89263058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).