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

C6H13ClNOP — CID 167244902

IUPAC2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CC(C)OP1Cl
InChIInChI=1S/C6H13ClNOP/c1-3-4-8-5-6(2)9-10(8)7/h6H,3-5H2,1-2H3
InChIKeyJUJVFWIFDOHETO-UHFFFAOYSA-N
MW181.60 g/mol
LogP2.58
Rot. Bonds2

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

2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine (PubChem CID 167244902) has the molecular formula C6H13ClNOP and a molecular weight of 181.60 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine
PubChem CID167244902
Molecular FormulaC6H13ClNOP
Molecular Weight181.60 g/mol
Exact Mass181.04
IUPAC Name2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CC(C)OP1Cl
InChIInChI=1S/C6H13ClNOP/c1-3-4-8-5-6(2)9-10(8)7/h6H,3-5H2,1-2H3
InChIKeyJUJVFWIFDOHETO-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 52.58
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-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The IUPAC name of 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine (CID 167244902) is 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine is CCCN1CC(C)OP1Cl.
What is the InChIKey of 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine?
The InChIKey is JUJVFWIFDOHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClNOP/c1-3-4-8-5-6(2)9-10(8)7/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine?
2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine has a molecular weight of 181.60 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-propyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 167244902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).