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

C16H23NO3 — CID 114513713

IUPAC2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(=O)C3CCCC3)C(=O)C2C1
InChIInChI=1S/C16H23NO3/c1-2-10-7-12-13(8-10)16(20)17(15(12)19)9-14(18)11-5-3-4-6-11/h10-13H,2-9H2,1H3
InChIKeySSWMGJCBYAEVKM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds4

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

2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513713) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513713
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(=O)C3CCCC3)C(=O)C2C1
InChIInChI=1S/C16H23NO3/c1-2-10-7-12-13(8-10)16(20)17(15(12)19)9-14(18)11-5-3-4-6-11/h10-13H,2-9H2,1H3
InChIKeySSWMGJCBYAEVKM-UHFFFAOYSA-N
XLogP2.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

3-(2-cyclopropyl-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834935
methyl 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetate
CID 114512851
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
CID 114512330
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513727
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103073122
4-(2-cyclopentyl-2-oxoethyl)morpholine-3,5-dione
CID 104751314
4-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 114512643
5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102735297
2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513417
5-ethyl-2-pent-4-ynyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513768
5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513713) is 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CC(=O)C3CCCC3)C(=O)C2C1.
What is the InChIKey of 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is SSWMGJCBYAEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-10-7-12-13(8-10)16(20)17(15(12)19)9-14(18)11-5-3-4-6-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 277.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-oxoethyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).