1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione

C8H11NO2 — CID 13211069

IUPAC1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
SMILESO=C1CC(=O)C2CNCCC12
InChIInChI=1S/C8H11NO2/c10-7-3-8(11)6-4-9-2-1-5(6)7/h5-6,9H,1-4H2
InChIKeyQWMBVYARERLTHQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.25
Rot. Bonds

About 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione

1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione (PubChem CID 13211069) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione.

Molecular Properties

Compound Name1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
PubChem CID13211069
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione
SMILESO=C1CC(=O)C2CNCCC12
InChIInChI=1S/C8H11NO2/c10-7-3-8(11)6-4-9-2-1-5(6)7/h5-6,9H,1-4H2
InChIKeyQWMBVYARERLTHQ-UHFFFAOYSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione with MolForge

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Related Compounds

3-cyclopropylpiperidin-4-one
CID 130812685
3-(4-methylcyclohexyl)piperidin-4-one
CID 114451713
2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one;hydrochloride
CID 146155403
(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
CID 129493814
4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 52987586
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 86318590
3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 13493108
(6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 174161312
(3aS,6aR)-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
CID 154724409
(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
CID 55301354
(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
CID 59083233
3,4-bis(4-chlorophenyl)piperidine
CID 79434307

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione?
The IUPAC name of 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione (CID 13211069) is 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione.
What is the SMILES notation for 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione?
The canonical SMILES for 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione is O=C1CC(=O)C2CNCCC12.
What is the InChIKey of 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione?
The InChIKey is QWMBVYARERLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-3-8(11)6-4-9-2-1-5(6)7/h5-6,9H,1-4H2.
What are the key properties of 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione?
1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione has a molecular weight of 153.18 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,7a-hexahydrocyclopenta[c]pyridine-5,7-dione is sourced from PubChem (CID 13211069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).