2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C13H19NO3 — CID 106801883

IUPAC2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC(=O)CCCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H19NO3/c1-2-9(15)5-4-8-14-12(16)10-6-3-7-11(10)13(14)17/h10-11H,2-8H2,1H3
InChIKeyFXDRFKJTCWRPNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds5

About 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 106801883) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID106801883
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC(=O)CCCN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H19NO3/c1-2-9(15)5-4-8-14-12(16)10-6-3-7-11(10)13(14)17/h10-11H,2-8H2,1H3
InChIKeyFXDRFKJTCWRPNB-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(2-oxocyclopentyl)acetamide
CID 45098891
2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 12527314
1-(5-Fluoro-4,5-dimethyl-6-oxoheptyl)-3-methylpyrrolidine-2,5-dione
CID 139406489
Pyyizekrahoycn-ocaptikfsa-
CID 21572938
3-(2-Oxocyclopentyl)-1-propylpyrrolidine-2,5-dione
CID 139259778
trifluoro-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]boranuide
CID 114514035
2-Acetylhexahydrocyclopenta[c]pyrrol-5(1H)-one
CID 10997418
2-(4-bromobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 14995365
2-(3-bromopropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 19092067
2-Ethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
CID 54499364
2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 57846686
2-(2,2-Dimethylpropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
CID 58474374

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 106801883) is 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC(=O)CCCN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is FXDRFKJTCWRPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-9(15)5-4-8-14-12(16)10-6-3-7-11(10)13(14)17/h10-11H,2-8H2,1H3.
What are the key properties of 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 237.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 106801883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).