3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C11H15NO3 — CID 11031075

IUPAC3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=CCC[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C11H15NO3/c1-8-4-2-3-5-9(8)10(13)12-6-7-15-11(12)14/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m1/s1
InChIKeyDYDKSSSZRASYQV-BDAKNGLRSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds1

About 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11031075) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11031075
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1C=CCC[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C11H15NO3/c1-8-4-2-3-5-9(8)10(13)12-6-7-15-11(12)14/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m1/s1
InChIKeyDYDKSSSZRASYQV-BDAKNGLRSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Bicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 9964417
2-Oxazolidinone, 3-[(4-methyl-3-cyclohexen-1-yl)carbonyl]-
CID 11735941
3-(3-Methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 13634596
3-(3-Ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 85213600
3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907283
3-(Bicyclo[2.2.2]oct-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 73083363
3-(3-Propylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 13634611
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443
3-(2-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972444
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
2-Oxazolidinone, 3-[(1S,2S,4S)-bicyclo[2.2.2]oct-5-en-2-ylcarbonyl]-
CID 10878710
3-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 11138276

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 11031075) is 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is C[C@@H]1C=CCC[C@@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DYDKSSSZRASYQV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-4-2-3-5-9(8)10(13)12-6-7-15-11(12)14/h2,4,8-9H,3,5-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11031075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).