1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone

C10H16FNO — CID 172577529

IUPAC1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1CC2C[C@H](F)C[C@@]2(C)C1
InChIInChI=1S/C10H16FNO/c1-7(13)12-5-8-3-9(11)4-10(8,2)6-12/h8-9H,3-6H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyNPIHLJOUHMSQLZ-AGROOBSYSA-N
MW185.24 g/mol
LogP1.60
Rot. Bonds

About 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone

1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone (PubChem CID 172577529) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
PubChem CID172577529
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
SMILESCC(=O)N1CC2C[C@H](F)C[C@@]2(C)C1
InChIInChI=1S/C10H16FNO/c1-7(13)12-5-8-3-9(11)4-10(8,2)6-12/h8-9H,3-6H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyNPIHLJOUHMSQLZ-AGROOBSYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone (CID 172577529) is 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone is CC(=O)N1CC2C[C@H](F)C[C@@]2(C)C1.
What is the InChIKey of 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
The InChIKey is NPIHLJOUHMSQLZ-AGROOBSYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(13)12-5-8-3-9(11)4-10(8,2)6-12/h8-9H,3-6H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone?
1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone has a molecular weight of 185.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone is sourced from PubChem (CID 172577529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).