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

C11H15NO3 — CID 101221348

IUPAC3-[(1R,2S)-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+/m0/s1
InChIKeyDYDKSSSZRASYQV-DTWKUNHWSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds1

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

3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 101221348) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID101221348
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[(1R,2S)-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+/m0/s1
InChIKeyDYDKSSSZRASYQV-DTWKUNHWSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 101221348) is 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R,2S)-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-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DYDKSSSZRASYQV-DTWKUNHWSA-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+/m0/s1.
What are the key properties of 3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R,2S)-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-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101221348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).