3,4-di(propan-2-yl)-1,3-oxazolidin-2-one

C9H17NO2 — CID 20687788

IUPAC3,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3
InChIKeyWNONSPSBNWLEHO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one

3,4-di(propan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 20687788) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3-oxazolidin-2-one
PubChem CID20687788
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3
InChIKeyWNONSPSBNWLEHO-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one (CID 20687788) is 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is WNONSPSBNWLEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
3,4-di(propan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 20687788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).