2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone

C15H15Cl2N3O — CID 122650225

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(Cl)cc2[nH]1)N1CC2CNCC2C1
InChIInChI=1S/C15H15Cl2N3O/c16-10-1-12(17)11-3-14(19-13(11)2-10)15(21)20-6-8-4-18-5-9(8)7-20/h1-3,8-9,18-19H,4-7H2
InChIKeyPRTANUVFIDYGCD-UHFFFAOYSA-N
MW324.21 g/mol
LogP2.77
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone (PubChem CID 122650225) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
PubChem CID122650225
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(Cl)cc2[nH]1)N1CC2CNCC2C1
InChIInChI=1S/C15H15Cl2N3O/c16-10-1-12(17)11-3-14(19-13(11)2-10)15(21)20-6-8-4-18-5-9(8)7-20/h1-3,8-9,18-19H,4-7H2
InChIKeyPRTANUVFIDYGCD-UHFFFAOYSA-N
XLogP2.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone 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 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone (CID 122650225) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone is O=C(c1cc2c(Cl)cc(Cl)cc2[nH]1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone?
The InChIKey is PRTANUVFIDYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c16-10-1-12(17)11-3-14(19-13(11)2-10)15(21)20-6-8-4-18-5-9(8)7-20/h1-3,8-9,18-19H,4-7H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone has a molecular weight of 324.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone is sourced from PubChem (CID 122650225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).