3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one

C11H19NO2 — CID 171732798

IUPAC3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC1CC1)N1CCOC1=O
InChIInChI=1S/C11H19NO2/c1-8(2)10(7-9-3-4-9)12-5-6-14-11(12)13/h8-10H,3-7H2,1-2H3
InChIKeyVUKUMEIJRAFTAD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.26
Rot. Bonds4

About 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one

3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 171732798) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one
PubChem CID171732798
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC1CC1)N1CCOC1=O
InChIInChI=1S/C11H19NO2/c1-8(2)10(7-9-3-4-9)12-5-6-14-11(12)13/h8-10H,3-7H2,1-2H3
InChIKeyVUKUMEIJRAFTAD-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one (CID 171732798) is 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one is CC(C)C(CC1CC1)N1CCOC1=O.
What is the InChIKey of 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is VUKUMEIJRAFTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(7-9-3-4-9)12-5-6-14-11(12)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one?
3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171732798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).