2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one

C14H15NO — CID 53438354

IUPAC2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one
SMILESO=C1CC=C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C14H15NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-6,13H,7-10H2
InChIKeyYOYOERUXGIEVOC-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds2

About 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one

2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one (PubChem CID 53438354) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one.

Molecular Properties

Compound Name2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one
PubChem CID53438354
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one
SMILESO=C1CC=C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C14H15NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-6,13H,7-10H2
InChIKeyYOYOERUXGIEVOC-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-one
CID 95242083
5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 67341395
4-acetyl-1-benzylpyrrolidin-3-one
CID 73010900
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
1-benzyl-4-fluoropiperidin-3-one
CID 83670241
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
6-benzyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 12737000
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one?
The IUPAC name of 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one (CID 53438354) is 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one.
What is the SMILES notation for 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one?
The canonical SMILES for 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one is O=C1CC=C2CN(Cc3ccccc3)CC12.
What is the InChIKey of 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one?
The InChIKey is YOYOERUXGIEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-6,13H,7-10H2.
What are the key properties of 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one?
2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one has a molecular weight of 213.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one is sourced from PubChem (CID 53438354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).