2-butyl-1,2-oxazolidin-3-one;hydrochloride

C7H14ClNO2 — CID 158738257

IUPAC2-butyl-1,2-oxazolidin-3-one;hydrochloride
SMILESCCCCN1OCCC1=O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-3-5-8-7(9)4-6-10-8;/h2-6H2,1H3;1H
InChIKeySORTZTCQSWLQDI-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.37
Rot. Bonds3

About 2-butyl-1,2-oxazolidin-3-one;hydrochloride

2-butyl-1,2-oxazolidin-3-one;hydrochloride (PubChem CID 158738257) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-butyl-1,2-oxazolidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-1,2-oxazolidin-3-one;hydrochloride
PubChem CID158738257
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-butyl-1,2-oxazolidin-3-one;hydrochloride
SMILESCCCCN1OCCC1=O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-3-5-8-7(9)4-6-10-8;/h2-6H2,1H3;1H
InChIKeySORTZTCQSWLQDI-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2-oxazolidin-3-one;hydrochloride?
The IUPAC name of 2-butyl-1,2-oxazolidin-3-one;hydrochloride (CID 158738257) is 2-butyl-1,2-oxazolidin-3-one;hydrochloride.
What is the SMILES notation for 2-butyl-1,2-oxazolidin-3-one;hydrochloride?
The canonical SMILES for 2-butyl-1,2-oxazolidin-3-one;hydrochloride is CCCCN1OCCC1=O.Cl.
What is the InChIKey of 2-butyl-1,2-oxazolidin-3-one;hydrochloride?
The InChIKey is SORTZTCQSWLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-3-5-8-7(9)4-6-10-8;/h2-6H2,1H3;1H.
What are the key properties of 2-butyl-1,2-oxazolidin-3-one;hydrochloride?
2-butyl-1,2-oxazolidin-3-one;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2-oxazolidin-3-one;hydrochloride is sourced from PubChem (CID 158738257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).