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

C15H24N2O3 — CID 106301472

IUPAC2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(C3(CN)CCOCC3)C(=O)C2C1
InChIInChI=1S/C15H24N2O3/c1-2-10-7-11-12(8-10)14(19)17(13(11)18)15(9-16)3-5-20-6-4-15/h10-12H,2-9,16H2,1H3
InChIKeyGOMKIUVDPHBWSC-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.92
Rot. Bonds3

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

2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 106301472) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID106301472
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(C3(CN)CCOCC3)C(=O)C2C1
InChIInChI=1S/C15H24N2O3/c1-2-10-7-11-12(8-10)14(19)17(13(11)18)15(9-16)3-5-20-6-4-15/h10-12H,2-9,16H2,1H3
InChIKeyGOMKIUVDPHBWSC-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.92
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-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 106301472) is 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(C3(CN)CCOCC3)C(=O)C2C1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is GOMKIUVDPHBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-10-7-11-12(8-10)14(19)17(13(11)18)15(9-16)3-5-20-6-4-15/h10-12H,2-9,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 280.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 106301472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).