1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione

C12H18N2O2 — CID 121183911

IUPAC1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(C1CC1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C12H18N2O2/c1-8(9-2-3-9)13-6-10(7-13)14-11(15)4-5-12(14)16/h8-10H,2-7H2,1H3
InChIKeyUNUJIBGDYBNPDN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds3

About 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione

1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 121183911) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione
PubChem CID121183911
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(C1CC1)N1CC(N2C(=O)CCC2=O)C1
InChIInChI=1S/C12H18N2O2/c1-8(9-2-3-9)13-6-10(7-13)14-11(15)4-5-12(14)16/h8-10H,2-7H2,1H3
InChIKeyUNUJIBGDYBNPDN-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione (CID 121183911) is 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione is CC(C1CC1)N1CC(N2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is UNUJIBGDYBNPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(9-2-3-9)13-6-10(7-13)14-11(15)4-5-12(14)16/h8-10H,2-7H2,1H3.
What are the key properties of 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione?
1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylethyl)azetidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121183911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).