3-propyl-1,3-oxazolidine

C6H13NO — CID 12541791

IUPAC3-propyl-1,3-oxazolidine
SMILESCCCN1CCOC1
InChIInChI=1S/C6H13NO/c1-2-3-7-4-5-8-6-7/h2-6H2,1H3
InChIKeySAVQMKPWCGFWCM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.69
Rot. Bonds2

About 3-propyl-1,3-oxazolidine

3-propyl-1,3-oxazolidine (PubChem CID 12541791) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-propyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-propyl-1,3-oxazolidine
PubChem CID12541791
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-propyl-1,3-oxazolidine
SMILESCCCN1CCOC1
InChIInChI=1S/C6H13NO/c1-2-3-7-4-5-8-6-7/h2-6H2,1H3
InChIKeySAVQMKPWCGFWCM-UHFFFAOYSA-N
XLogP0.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,3-oxazolidine?
The IUPAC name of 3-propyl-1,3-oxazolidine (CID 12541791) is 3-propyl-1,3-oxazolidine.
What is the SMILES notation for 3-propyl-1,3-oxazolidine?
The canonical SMILES for 3-propyl-1,3-oxazolidine is CCCN1CCOC1.
What is the InChIKey of 3-propyl-1,3-oxazolidine?
The InChIKey is SAVQMKPWCGFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-7-4-5-8-6-7/h2-6H2,1H3.
What are the key properties of 3-propyl-1,3-oxazolidine?
3-propyl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.69, 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-oxazolidine is sourced from PubChem (CID 12541791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).