3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione

C13H22N2O3 — CID 114097733

IUPAC3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCCOCC2CC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-2-15-12(16)8-11(13(15)17)14-6-3-7-18-9-10-4-5-10/h10-11,14H,2-9H2,1H3
InChIKeyJAQXEZZDWZNQNO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds8

About 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione

3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione (PubChem CID 114097733) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione
PubChem CID114097733
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCCOCC2CC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-2-15-12(16)8-11(13(15)17)14-6-3-7-18-9-10-4-5-10/h10-11,14H,2-9H2,1H3
InChIKeyJAQXEZZDWZNQNO-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione (CID 114097733) is 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(NCCCOCC2CC2)C1=O.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione?
The InChIKey is JAQXEZZDWZNQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-15-12(16)8-11(13(15)17)14-6-3-7-18-9-10-4-5-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione?
3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 114097733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).