5-methyl-3-propyl-1,3,2-oxazaphospholidine

C6H14NOP — CID 145370933

IUPAC5-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CC(C)OP1
InChIInChI=1S/C6H14NOP/c1-3-4-7-5-6(2)8-9-7/h6,9H,3-5H2,1-2H3
InChIKeyWPKLILLIZJBTJE-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.63
Rot. Bonds2

About 5-methyl-3-propyl-1,3,2-oxazaphospholidine

5-methyl-3-propyl-1,3,2-oxazaphospholidine (PubChem CID 145370933) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 5-methyl-3-propyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name5-methyl-3-propyl-1,3,2-oxazaphospholidine
PubChem CID145370933
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name5-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CC(C)OP1
InChIInChI=1S/C6H14NOP/c1-3-4-7-5-6(2)8-9-7/h6,9H,3-5H2,1-2H3
InChIKeyWPKLILLIZJBTJE-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.63
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 5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The IUPAC name of 5-methyl-3-propyl-1,3,2-oxazaphospholidine (CID 145370933) is 5-methyl-3-propyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 5-methyl-3-propyl-1,3,2-oxazaphospholidine is CCCN1CC(C)OP1.
What is the InChIKey of 5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The InChIKey is WPKLILLIZJBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-3-4-7-5-6(2)8-9-7/h6,9H,3-5H2,1-2H3.
What are the key properties of 5-methyl-3-propyl-1,3,2-oxazaphospholidine?
5-methyl-3-propyl-1,3,2-oxazaphospholidine has a molecular weight of 147.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 145370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).