5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one

C8H15NO2 — CID 177197073

IUPAC5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OC(C)(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-4-5-9-7(10)6-8(2,3)11-9/h4-6H2,1-3H3
InChIKeyPUIGBAJICJVBTO-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.34
Rot. Bonds2

About 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one

5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one (PubChem CID 177197073) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one
PubChem CID177197073
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one
SMILESCCCN1OC(C)(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-4-5-9-7(10)6-8(2,3)11-9/h4-6H2,1-3H3
InChIKeyPUIGBAJICJVBTO-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one?
The IUPAC name of 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one (CID 177197073) is 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one?
The canonical SMILES for 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one is CCCN1OC(C)(C)CC1=O.
What is the InChIKey of 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one?
The InChIKey is PUIGBAJICJVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-9-7(10)6-8(2,3)11-9/h4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one?
5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one has a molecular weight of 157.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 177197073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).