6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

C8H15FN2 — CID 146438311

IUPAC6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(F)CC21
InChIInChI=1S/C8H15FN2/c1-10-4-2-7-3-5-11(9)6-8(7)10/h7-8H,2-6H2,1H3
InChIKeyMHUNQIYDXIWAMB-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.90
Rot. Bonds

About 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 146438311) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID146438311
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CCC2CCN(F)CC21
InChIInChI=1S/C8H15FN2/c1-10-4-2-7-3-5-11(9)6-8(7)10/h7-8H,2-6H2,1H3
InChIKeyMHUNQIYDXIWAMB-UHFFFAOYSA-N
XLogP0.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (CID 146438311) is 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is CN1CCC2CCN(F)CC21.
What is the InChIKey of 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is MHUNQIYDXIWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-10-4-2-7-3-5-11(9)6-8(7)10/h7-8H,2-6H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine has a molecular weight of 158.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 146438311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).