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

C14H24N2O3 — CID 107506472

IUPAC5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(COC)NC)C(=O)C2C1
InChIInChI=1S/C14H24N2O3/c1-4-9-5-11-12(6-9)14(18)16(13(11)17)7-10(15-2)8-19-3/h9-12,15H,4-8H2,1-3H3
InChIKeyZNLBOPMHHBZOPB-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.64
Rot. Bonds6

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

5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 107506472) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID107506472
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(COC)NC)C(=O)C2C1
InChIInChI=1S/C14H24N2O3/c1-4-9-5-11-12(6-9)14(18)16(13(11)17)7-10(15-2)8-19-3/h9-12,15H,4-8H2,1-3H3
InChIKeyZNLBOPMHHBZOPB-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[3-methoxy-2-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107506475
3-[2-(methylamino)pentyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836040
5-ethyl-2-[4-(methylamino)hexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106800621
5-ethyl-2-[2-(ethylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513427
methyl 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetate
CID 114512851
5-ethyl-2-[2-(ethylamino)-3-methylbutyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513447
5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836044
1-[3-methoxy-2-(methylamino)propyl]-4-methylpiperazine-2,3-dione
CID 107506202
methyl 3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(methylamino)propanoate
CID 64829837
2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513413

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 107506472) is 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CC(COC)NC)C(=O)C2C1.
What is the InChIKey of 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is ZNLBOPMHHBZOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9-5-11-12(6-9)14(18)16(13(11)17)7-10(15-2)8-19-3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 268.36 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-methoxy-2-(methylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 107506472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).