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

C16H26N2O2 — CID 114513417

IUPAC2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CCC3CCCC3N)C(=O)C2C1
InChIInChI=1S/C16H26N2O2/c1-2-10-8-12-13(9-10)16(20)18(15(12)19)7-6-11-4-3-5-14(11)17/h10-14H,2-9,17H2,1H3
InChIKeyJKQZLOAVVHGJPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.93
Rot. Bonds4

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

2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513417) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513417
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CCC3CCCC3N)C(=O)C2C1
InChIInChI=1S/C16H26N2O2/c1-2-10-8-12-13(9-10)16(20)18(15(12)19)7-6-11-4-3-5-14(11)17/h10-14H,2-9,17H2,1H3
InChIKeyJKQZLOAVVHGJPN-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513417) is 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CCC3CCCC3N)C(=O)C2C1.
What is the InChIKey of 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is JKQZLOAVVHGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-10-8-12-13(9-10)16(20)18(15(12)19)7-6-11-4-3-5-14(11)17/h10-14H,2-9,17H2,1H3.
What are the key properties of 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 278.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminocyclopentyl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).