3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone

C19H24FNO2 — CID 71921143

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
SMILESO=C(N1CC2CCCC2C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C19H24FNO2/c20-17-6-4-16(5-7-17)19(8-10-23-11-9-19)18(22)21-12-14-2-1-3-15(14)13-21/h4-7,14-15H,1-3,8-13H2
InChIKeyWUQLGAZOLMHBKH-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.13
Rot. Bonds2

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone (PubChem CID 71921143) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
PubChem CID71921143
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
SMILESO=C(N1CC2CCCC2C1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C19H24FNO2/c20-17-6-4-16(5-7-17)19(8-10-23-11-9-19)18(22)21-12-14-2-1-3-15(14)13-21/h4-7,14-15H,1-3,8-13H2
InChIKeyWUQLGAZOLMHBKH-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120658609
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 126810716
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979900
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
(5R)-9-[4-(4-fluorophenyl)oxane-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95728573
[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97127856
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 124589559

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone (CID 71921143) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone is O=C(N1CC2CCCC2C1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The InChIKey is WUQLGAZOLMHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-17-6-4-16(5-7-17)19(8-10-23-11-9-19)18(22)21-12-14-2-1-3-15(14)13-21/h4-7,14-15H,1-3,8-13H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone has a molecular weight of 317.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone is sourced from PubChem (CID 71921143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).