(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one

C15H19NO2 — CID 10776768

IUPAC(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
SMILESO=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@]12O
InChIInChI=1S/C15H19NO2/c17-14-7-6-13-11-16(9-8-15(13,14)18)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2/t13-,15-/m1/s1
InChIKeyOMARDGCCGPLDCM-UKRRQHHQSA-N
MW245.32 g/mol
LogP1.60
Rot. Bonds2

About (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one

(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one (PubChem CID 10776768) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one.

Molecular Properties

Compound Name(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
PubChem CID10776768
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
SMILESO=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@]12O
InChIInChI=1S/C15H19NO2/c17-14-7-6-13-11-16(9-8-15(13,14)18)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2/t13-,15-/m1/s1
InChIKeyOMARDGCCGPLDCM-UKRRQHHQSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one with MolForge

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Related Compounds

1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
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1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
(4aS,8aR)-2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 40562487
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 3396845
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3S,4R)-1-benzyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxylic acid
CID 58083399
[(3S,4R)-1-benzyl-4-(4-fluorophenyl)-4-hydroxypiperidin-3-yl]-(4-fluorophenyl)methanone
CID 22860804
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one?
The IUPAC name of (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one (CID 10776768) is (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one.
What is the SMILES notation for (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one?
The canonical SMILES for (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one is O=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@]12O.
What is the InChIKey of (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one?
The InChIKey is OMARDGCCGPLDCM-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-7-6-13-11-16(9-8-15(13,14)18)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2/t13-,15-/m1/s1.
What are the key properties of (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one?
(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one has a molecular weight of 245.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one is sourced from PubChem (CID 10776768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).