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

C5H11ClNOP — CID 155698603

IUPAC2-chloro-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1Cl
InChIInChI=1S/C5H11ClNOP/c1-2-3-7-4-5-8-9(7)6/h2-5H2,1H3
InChIKeyCSOCARYWRPLSDW-UHFFFAOYSA-N
MW167.58 g/mol
LogP2.19
Rot. Bonds2

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

2-chloro-3-propyl-1,3,2-oxazaphospholidine (PubChem CID 155698603) has the molecular formula C5H11ClNOP and a molecular weight of 167.58 g/mol. Its IUPAC name is 2-chloro-3-propyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name2-chloro-3-propyl-1,3,2-oxazaphospholidine
PubChem CID155698603
Molecular FormulaC5H11ClNOP
Molecular Weight167.58 g/mol
Exact Mass167.03
IUPAC Name2-chloro-3-propyl-1,3,2-oxazaphospholidine
SMILESCCCN1CCOP1Cl
InChIInChI=1S/C5H11ClNOP/c1-2-3-7-4-5-8-9(7)6/h2-5H2,1H3
InChIKeyCSOCARYWRPLSDW-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.58
LogP ≤ 52.19
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-3-propyl-1,3,2-oxazaphospholidine?
The IUPAC name of 2-chloro-3-propyl-1,3,2-oxazaphospholidine (CID 155698603) is 2-chloro-3-propyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 2-chloro-3-propyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 2-chloro-3-propyl-1,3,2-oxazaphospholidine is CCCN1CCOP1Cl.
What is the InChIKey of 2-chloro-3-propyl-1,3,2-oxazaphospholidine?
The InChIKey is CSOCARYWRPLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClNOP/c1-2-3-7-4-5-8-9(7)6/h2-5H2,1H3.
What are the key properties of 2-chloro-3-propyl-1,3,2-oxazaphospholidine?
2-chloro-3-propyl-1,3,2-oxazaphospholidine has a molecular weight of 167.58 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 155698603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).