5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine

C11H11FN2 — CID 65333031

IUPAC5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
SMILESNC1CCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C11H11FN2/c12-7-3-1-2-6-10-8(13)4-5-9(10)14-11(6)7/h1-3,8,14H,4-5,13H2
InChIKeyCNLSEXIAEFKIJQ-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.25
Rot. Bonds

About 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine

5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine (PubChem CID 65333031) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine.

Molecular Properties

Compound Name5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
PubChem CID65333031
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
SMILESNC1CCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C11H11FN2/c12-7-3-1-2-6-10-8(13)4-5-9(10)14-11(6)7/h1-3,8,14H,4-5,13H2
InChIKeyCNLSEXIAEFKIJQ-UHFFFAOYSA-N
XLogP2.25
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The IUPAC name of 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine (CID 65333031) is 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine.
What is the SMILES notation for 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The canonical SMILES for 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine is NC1CCc2[nH]c3c(F)cccc3c21.
What is the InChIKey of 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The InChIKey is CNLSEXIAEFKIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-7-3-1-2-6-10-8(13)4-5-9(10)14-11(6)7/h1-3,8,14H,4-5,13H2.
What are the key properties of 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine has a molecular weight of 190.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine is sourced from PubChem (CID 65333031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).