5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H21FN2 — CID 83069875

IUPAC5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1C1CCc2c(F)cccc21
InChIInChI=1S/C16H21FN2/c1-10-14-8-18-7-11(14)9-19(10)16-6-5-12-13(16)3-2-4-15(12)17/h2-4,10-11,14,16,18H,5-9H2,1H3
InChIKeyGRNLLHGKMWDCHN-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.35
Rot. Bonds1

About 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 83069875) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID83069875
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1C1CCc2c(F)cccc21
InChIInChI=1S/C16H21FN2/c1-10-14-8-18-7-11(14)9-19(10)16-6-5-12-13(16)3-2-4-15(12)17/h2-4,10-11,14,16,18H,5-9H2,1H3
InChIKeyGRNLLHGKMWDCHN-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole 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 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 83069875) is 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1C1CCc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GRNLLHGKMWDCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-10-14-8-18-7-11(14)9-19(10)16-6-5-12-13(16)3-2-4-15(12)17/h2-4,10-11,14,16,18H,5-9H2,1H3.
What are the key properties of 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 260.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 83069875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).