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

C15H24N2O3 — CID 103980095

IUPAC2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNC1CCC(OCCN2C(=O)C3CCCC3C2=O)CC1
InChIInChI=1S/C15H24N2O3/c16-10-4-6-11(7-5-10)20-9-8-17-14(18)12-2-1-3-13(12)15(17)19/h10-13H,1-9,16H2
InChIKeyZUNYUWWGISAABU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.06
Rot. Bonds4

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

2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980095) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980095
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNC1CCC(OCCN2C(=O)C3CCCC3C2=O)CC1
InChIInChI=1S/C15H24N2O3/c16-10-4-6-11(7-5-10)20-9-8-17-14(18)12-2-1-3-13(12)15(17)19/h10-13H,1-9,16H2
InChIKeyZUNYUWWGISAABU-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980095) is 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is NC1CCC(OCCN2C(=O)C3CCCC3C2=O)CC1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is ZUNYUWWGISAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-10-4-6-11(7-5-10)20-9-8-17-14(18)12-2-1-3-13(12)15(17)19/h10-13H,1-9,16H2.
What are the key properties of 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 280.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)oxyethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).