3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

C9H15NO3 — CID 536404

IUPAC3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CC2)C1(C)O
InChIInChI=1S/C9H15NO3/c1-8(2)9(3,12)10(6-4-5-6)7(11)13-8/h6,12H,4-5H2,1-3H3
InChIKeyDTKDDIWZQYVBNB-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.09
Rot. Bonds1

About 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 536404) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID536404
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CC2)C1(C)O
InChIInChI=1S/C9H15NO3/c1-8(2)9(3,12)10(6-4-5-6)7(11)13-8/h6,12H,4-5H2,1-3H3
InChIKeyDTKDDIWZQYVBNB-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
CID 4579034
4-Hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5133683
(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 3438402
2-(4-Hydroxy-2-oxo-4,5,5-trimethyl-3-oxazolidinyl)propionic acid
CID 5129769
2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 4243422
2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 5129768
(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 684523
(4S)-3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 705471
(4R)-3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 705474
2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 1248186
2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 1248187
(2R)-2-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanoate
CID 1248194

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 536404) is 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CC2)C1(C)O.
What is the InChIKey of 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is DTKDDIWZQYVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(2)9(3,12)10(6-4-5-6)7(11)13-8/h6,12H,4-5H2,1-3H3.
What are the key properties of 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 536404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).