2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

C3H9N2O2P — CID 13135009

IUPAC2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
SMILESNP1(=O)NCCCO1
InChIInChI=1S/C3H9N2O2P/c4-8(6)5-2-1-3-7-8/h1-3H2,(H3,4,5,6)
InChIKeyMIXHOBKUJPATMK-UHFFFAOYSA-N
MW136.09 g/mol
LogP0.06
Rot. Bonds

About 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine (PubChem CID 13135009) has the molecular formula C3H9N2O2P and a molecular weight of 136.09 g/mol. Its IUPAC name is 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine.

Molecular Properties

Compound Name2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
PubChem CID13135009
Molecular FormulaC3H9N2O2P
Molecular Weight136.09 g/mol
Exact Mass136.04
IUPAC Name2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
SMILESNP1(=O)NCCCO1
InChIInChI=1S/C3H9N2O2P/c4-8(6)5-2-1-3-7-8/h1-3H2,(H3,4,5,6)
InChIKeyMIXHOBKUJPATMK-UHFFFAOYSA-N
XLogP0.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-oxo-1,3,2lambda5-oxazaphosphinan-2-amine?
The IUPAC name of 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine (CID 13135009) is 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine.
What is the SMILES notation for 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine?
The canonical SMILES for 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine is NP1(=O)NCCCO1.
What is the InChIKey of 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine?
The InChIKey is MIXHOBKUJPATMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2P/c4-8(6)5-2-1-3-7-8/h1-3H2,(H3,4,5,6).
What are the key properties of 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine?
2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine has a molecular weight of 136.09 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine is sourced from PubChem (CID 13135009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).