[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone

C12H14BrNO2 — CID 59403302

IUPAC[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C12H14BrNO2/c13-10-1-2-16-12(10)11(15)7-3-8-5-14-6-9(8)4-7/h1-2,7-9,14H,3-6H2/t7?,8-,9+
InChIKeyWBKGDRZBFJFCPR-CBLAIPOGSA-N
MW284.15 g/mol
LogP2.47
Rot. Bonds2

About [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone

[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone (PubChem CID 59403302) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone
PubChem CID59403302
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone
SMILESO=C(c1occc1Br)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C12H14BrNO2/c13-10-1-2-16-12(10)11(15)7-3-8-5-14-6-9(8)4-7/h1-2,7-9,14H,3-6H2/t7?,8-,9+
InChIKeyWBKGDRZBFJFCPR-CBLAIPOGSA-N
XLogP2.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone with MolForge

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Related Compounds

[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 59403341
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-5-yl(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 68466638
[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 68466639
[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(furan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 68467755
(3-Bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572849
3-Azabicyclo[3.3.1]nonan-7-yl-(3-bromofuran-2-yl)methanone
CID 25094464
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-5-yl(furan-2-yl)methanone
CID 25097853
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-5-yl-(3-bromofuran-2-yl)methanone
CID 25097854
2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-5-carbonyl)furan-3-carbonitrile
CID 25097855
2-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carbonyl]furan-3-carbonitrile
CID 59403301
[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(5-methylfuran-2-yl)methanone
CID 59403303
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-5-yl-(5-methylfuran-2-yl)methanone
CID 68466914

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone?
The IUPAC name of [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone (CID 59403302) is [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone?
The canonical SMILES for [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone is O=C(c1occc1Br)C1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone?
The InChIKey is WBKGDRZBFJFCPR-CBLAIPOGSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-1-2-16-12(10)11(15)7-3-8-5-14-6-9(8)4-7/h1-2,7-9,14H,3-6H2/t7?,8-,9+.
What are the key properties of [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone?
[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone has a molecular weight of 284.15 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-(3-bromofuran-2-yl)methanone is sourced from PubChem (CID 59403302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).