(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione

C11H8ClNO3 — CID 135042667

IUPAC(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione
SMILESO=C1O[C@H]2CCC(=O)N2c2cc(Cl)ccc21
InChIInChI=1S/C11H8ClNO3/c12-6-1-2-7-8(5-6)13-9(14)3-4-10(13)16-11(7)15/h1-2,5,10H,3-4H2/t10-/m0/s1
InChIKeyOSZZJMWXTIPSKK-JTQLQIEISA-N
MW237.64 g/mol
LogP1.96
Rot. Bonds

About (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione

(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione (PubChem CID 135042667) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione.

Molecular Properties

Compound Name(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione
PubChem CID135042667
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione
SMILESO=C1O[C@H]2CCC(=O)N2c2cc(Cl)ccc21
InChIInChI=1S/C11H8ClNO3/c12-6-1-2-7-8(5-6)13-9(14)3-4-10(13)16-11(7)15/h1-2,5,10H,3-4H2/t10-/m0/s1
InChIKeyOSZZJMWXTIPSKK-JTQLQIEISA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione?
The IUPAC name of (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione (CID 135042667) is (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione.
What is the SMILES notation for (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione?
The canonical SMILES for (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione is O=C1O[C@H]2CCC(=O)N2c2cc(Cl)ccc21.
What is the InChIKey of (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione?
The InChIKey is OSZZJMWXTIPSKK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-6-1-2-7-8(5-6)13-9(14)3-4-10(13)16-11(7)15/h1-2,5,10H,3-4H2/t10-/m0/s1.
What are the key properties of (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione?
(3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione has a molecular weight of 237.64 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-8-chloro-3,3a-dihydro-2H-pyrrolo[1,2-a][3,1]benzoxazine-1,5-dione is sourced from PubChem (CID 135042667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).