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

C11H12ClNO3 — CID 85393601

IUPAC3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1C2C=CC(C2)C1Cl
InChIInChI=1S/C11H12ClNO3/c12-9-7-2-1-6(5-7)8(9)10(14)13-3-4-16-11(13)15/h1-2,6-9H,3-5H2
InChIKeyRYLAHFVBVWAQER-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.39
Rot. Bonds1

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

3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 85393601) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
PubChem CID85393601
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1C2C=CC(C2)C1Cl
InChIInChI=1S/C11H12ClNO3/c12-9-7-2-1-6(5-7)8(9)10(14)13-3-4-16-11(13)15/h1-2,6-9H,3-5H2
InChIKeyRYLAHFVBVWAQER-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one (CID 85393601) is 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C1C2C=CC(C2)C1Cl.
What is the InChIKey of 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is RYLAHFVBVWAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-7-2-1-6(5-7)8(9)10(14)13-3-4-16-11(13)15/h1-2,6-9H,3-5H2.
What are the key properties of 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one?
3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 241.67 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorobicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 85393601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).