3-propyl-1,3,2-oxazaphospholidine

C5H12NOP — CID 170585184

IUPAC3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1
InChIInChI=1S/C5H12NOP/c1-2-3-6-4-5-7-8-6/h8H,2-5H2,1H3
InChIKeyHKDLKLVPZWKOMF-UHFFFAOYSA-N
MW133.13 g/mol
LogP1.24
Rot. Bonds2

About 3-propyl-1,3,2-oxazaphospholidine

3-propyl-1,3,2-oxazaphospholidine (PubChem CID 170585184) has the molecular formula C5H12NOP and a molecular weight of 133.13 g/mol. Its IUPAC name is 3-propyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-propyl-1,3,2-oxazaphospholidine
PubChem CID170585184
Molecular FormulaC5H12NOP
Molecular Weight133.13 g/mol
Exact Mass133.07
IUPAC Name3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1
InChIInChI=1S/C5H12NOP/c1-2-3-6-4-5-7-8-6/h8H,2-5H2,1H3
InChIKeyHKDLKLVPZWKOMF-UHFFFAOYSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
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 3-propyl-1,3,2-oxazaphospholidine?
The IUPAC name of 3-propyl-1,3,2-oxazaphospholidine (CID 170585184) is 3-propyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-propyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-propyl-1,3,2-oxazaphospholidine is CCCN1CCOP1.
What is the InChIKey of 3-propyl-1,3,2-oxazaphospholidine?
The InChIKey is HKDLKLVPZWKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NOP/c1-2-3-6-4-5-7-8-6/h8H,2-5H2,1H3.
What are the key properties of 3-propyl-1,3,2-oxazaphospholidine?
3-propyl-1,3,2-oxazaphospholidine has a molecular weight of 133.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 170585184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).