3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

C11H13NO3 — CID 166448455

IUPAC3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1CC2C=C[C@H]1C2
InChIInChI=1S/C11H13NO3/c13-10(12-3-4-15-11(12)14)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7?,8-,9?/m0/s1
InChIKeySTDSCZJTXUQDHF-MGURRDGZSA-N
MW207.23 g/mol
LogP1.18
Rot. Bonds1

About 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one

3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 166448455) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID166448455
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1CC2C=C[C@H]1C2
InChIInChI=1S/C11H13NO3/c13-10(12-3-4-15-11(12)14)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7?,8-,9?/m0/s1
InChIKeySTDSCZJTXUQDHF-MGURRDGZSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.18
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)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one (CID 166448455) is 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C1CC2C=C[C@H]1C2.
What is the InChIKey of 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is STDSCZJTXUQDHF-MGURRDGZSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10(12-3-4-15-11(12)14)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2/t7?,8-,9?/m0/s1.
What are the key properties of 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one?
3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166448455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).