ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine

C15H23FN2 — CID 171540537

IUPACethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
SMILESCC.Fc1cccc(N2CCCC3NCCC32)c1
InChIInChI=1S/C13H17FN2.C2H6/c14-10-3-1-4-11(9-10)16-8-2-5-12-13(16)6-7-15-12;1-2/h1,3-4,9,12-13,15H,2,5-8H2;1-2H3
InChIKeyXOIGXHSDYYHNNL-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.18
Rot. Bonds1

About ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine

ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine (PubChem CID 171540537) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
PubChem CID171540537
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Nameethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
SMILESCC.Fc1cccc(N2CCCC3NCCC32)c1
InChIInChI=1S/C13H17FN2.C2H6/c14-10-3-1-4-11(9-10)16-8-2-5-12-13(16)6-7-15-12;1-2/h1,3-4,9,12-13,15H,2,5-8H2;1-2H3
InChIKeyXOIGXHSDYYHNNL-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

(3aS,7aS)-4-(5-fluoro-3-pyridinyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 66757969
methyl 3-[(3aR,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-5-fluorobenzoate
CID 171540429
(4aS,8aS)-4-(4-fluorophenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675903
(4aS,7aS)-4-(3,4-difluorophenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676069
(3aR,8aR)-4-[(3-fluorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143551
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
(4aS,7aS)-4-(3,4-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676021
(4aS,8aS)-4-(3,4-dimethylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675905
4-(4-fluoro-2-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571307
(3aR,7aR)-4-(6-chloro-3-pyridinyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 87137560
4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 62274954
2-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 81279502

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine (CID 171540537) is ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine is CC.Fc1cccc(N2CCCC3NCCC32)c1.
What is the InChIKey of ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine?
The InChIKey is XOIGXHSDYYHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2.C2H6/c14-10-3-1-4-11(9-10)16-8-2-5-12-13(16)6-7-15-12;1-2/h1,3-4,9,12-13,15H,2,5-8H2;1-2H3.
What are the key properties of ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine?
ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine has a molecular weight of 250.36 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 171540537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).