1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

C14H19FN2 — CID 19100960

IUPAC1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCN1CC2N(Cc3ccccc3)CCC2(F)C1
InChIInChI=1S/C14H19FN2/c1-16-10-13-14(15,11-16)7-8-17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMQNPIDBGEHJLGX-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.91
Rot. Bonds2

About 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 19100960) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID19100960
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCN1CC2N(Cc3ccccc3)CCC2(F)C1
InChIInChI=1S/C14H19FN2/c1-16-10-13-14(15,11-16)7-8-17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMQNPIDBGEHJLGX-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (CID 19100960) is 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is CN1CC2N(Cc3ccccc3)CCC2(F)C1.
What is the InChIKey of 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is MQNPIDBGEHJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-16-10-13-14(15,11-16)7-8-17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 234.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 19100960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).