5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole

C10H10FN — CID 142064678

IUPAC5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole
SMILESCC1(F)C=CC=c2[nH]ccc2=C1
InChIInChI=1S/C10H10FN/c1-10(11)5-2-3-9-8(7-10)4-6-12-9/h2-7,12H,1H3
InChIKeyUMQNKDYCFHWECL-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.87
Rot. Bonds

About 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole

5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole (PubChem CID 142064678) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole
PubChem CID142064678
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole
SMILESCC1(F)C=CC=c2[nH]ccc2=C1
InChIInChI=1S/C10H10FN/c1-10(11)5-2-3-9-8(7-10)4-6-12-9/h2-7,12H,1H3
InChIKeyUMQNKDYCFHWECL-UHFFFAOYSA-N
XLogP0.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole?
The IUPAC name of 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole (CID 142064678) is 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole.
What is the SMILES notation for 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole?
The canonical SMILES for 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole is CC1(F)C=CC=c2[nH]ccc2=C1.
What is the InChIKey of 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole?
The InChIKey is UMQNKDYCFHWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-10(11)5-2-3-9-8(7-10)4-6-12-9/h2-7,12H,1H3.
What are the key properties of 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole?
5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole has a molecular weight of 163.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole is sourced from PubChem (CID 142064678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).