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

C14H24N2O2 — CID 114513774

IUPAC2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCCNCC(C)CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C14H24N2O2/c1-3-7-15-8-10(2)9-16-13(17)11-5-4-6-12(11)14(16)18/h10-12,15H,3-9H2,1-2H3
InChIKeyNZPUZRZQIJJNTE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds6

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

2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513774) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513774
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCCNCC(C)CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C14H24N2O2/c1-3-7-15-8-10(2)9-16-13(17)11-5-4-6-12(11)14(16)18/h10-12,15H,3-9H2,1-2H3
InChIKeyNZPUZRZQIJJNTE-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aS)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxamide
CID 59403312
2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 12527314
2-cyclopentyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
CID 72014686
2-[(3R)-1-(3-cyclopentylpropanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 129622407
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366660
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366661
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366662
2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114384557
2-(3-amino-2,2-difluoropropyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392934
2-(3-amino-2,2-difluoropropyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513284
2-cyclopentyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 45794980
Octahydrocyclopenta[c]pyrrol-1-one
CID 13748839

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513774) is 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCCNCC(C)CN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is NZPUZRZQIJJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-15-8-10(2)9-16-13(17)11-5-4-6-12(11)14(16)18/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 252.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(propylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).