(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine

C12H12FN — CID 70658396

IUPAC(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine
SMILESFc1ccc2c(c1)[C@H]1NCCC=C1C2
InChIInChI=1S/C12H12FN/c13-10-4-3-8-6-9-2-1-5-14-12(9)11(8)7-10/h2-4,7,12,14H,1,5-6H2/t12-/m0/s1
InChIKeyOSGRPCZZCQJQRO-LBPRGKRZSA-N
MW189.23 g/mol
LogP2.34
Rot. Bonds

About (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine

(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine (PubChem CID 70658396) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine
PubChem CID70658396
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine
SMILESFc1ccc2c(c1)[C@H]1NCCC=C1C2
InChIInChI=1S/C12H12FN/c13-10-4-3-8-6-9-2-1-5-14-12(9)11(8)7-10/h2-4,7,12,14H,1,5-6H2/t12-/m0/s1
InChIKeyOSGRPCZZCQJQRO-LBPRGKRZSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3052776
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
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CID 15023225
(R)-N-methyl-N-2-propynyl-1-indanamine
CID 5289295
3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10654599
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
(+-)-1-Aminoindan
CID 123445
N-Methyl-1(R)-aminoindan
CID 5494442
[18F]fluororasagiline
CID 57328315
Fluoren-9-amine
CID 10671

Frequently Asked Questions

What is the IUPAC name of (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine (CID 70658396) is (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine is Fc1ccc2c(c1)[C@H]1NCCC=C1C2.
What is the InChIKey of (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is OSGRPCZZCQJQRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12FN/c13-10-4-3-8-6-9-2-1-5-14-12(9)11(8)7-10/h2-4,7,12,14H,1,5-6H2/t12-/m0/s1.
What are the key properties of (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine?
(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 189.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 70658396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).