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

C6H14NOP — CID 142361682

IUPAC2-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1C
InChIInChI=1S/C6H14NOP/c1-3-4-7-5-6-8-9(7)2/h3-6H2,1-2H3
InChIKeyYJKRGVUAMMYYJV-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.67
Rot. Bonds2

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

2-methyl-3-propyl-1,3,2-oxazaphospholidine (PubChem CID 142361682) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 2-methyl-3-propyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name2-methyl-3-propyl-1,3,2-oxazaphospholidine
PubChem CID142361682
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name2-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1C
InChIInChI=1S/C6H14NOP/c1-3-4-7-5-6-8-9(7)2/h3-6H2,1-2H3
InChIKeyYJKRGVUAMMYYJV-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 2-methyl-3-propyl-1,3,2-oxazaphospholidine?
The IUPAC name of 2-methyl-3-propyl-1,3,2-oxazaphospholidine (CID 142361682) is 2-methyl-3-propyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 2-methyl-3-propyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 2-methyl-3-propyl-1,3,2-oxazaphospholidine is CCCN1CCOP1C.
What is the InChIKey of 2-methyl-3-propyl-1,3,2-oxazaphospholidine?
The InChIKey is YJKRGVUAMMYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-3-4-7-5-6-8-9(7)2/h3-6H2,1-2H3.
What are the key properties of 2-methyl-3-propyl-1,3,2-oxazaphospholidine?
2-methyl-3-propyl-1,3,2-oxazaphospholidine has a molecular weight of 147.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 142361682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).