4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole

C9H10FN — CID 143402804

IUPAC4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
SMILESFC1=C2CNCC2C=CC=C1
InChIInChI=1S/C9H10FN/c10-9-4-2-1-3-7-5-11-6-8(7)9/h1-4,7,11H,5-6H2
InChIKeyPJWUQGXWEUOSPI-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.56
Rot. Bonds

About 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole

4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole (PubChem CID 143402804) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole.

Molecular Properties

Compound Name4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
PubChem CID143402804
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole
SMILESFC1=C2CNCC2C=CC=C1
InChIInChI=1S/C9H10FN/c10-9-4-2-1-3-7-5-11-6-8(7)9/h1-4,7,11H,5-6H2
InChIKeyPJWUQGXWEUOSPI-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[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 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole?
The IUPAC name of 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole (CID 143402804) is 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole.
What is the SMILES notation for 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole?
The canonical SMILES for 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole is FC1=C2CNCC2C=CC=C1.
What is the InChIKey of 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole?
The InChIKey is PJWUQGXWEUOSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-9-4-2-1-3-7-5-11-6-8(7)9/h1-4,7,11H,5-6H2.
What are the key properties of 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole?
4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole has a molecular weight of 151.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3,8a-tetrahydrocyclohepta[c]pyrrole is sourced from PubChem (CID 143402804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).