3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one

C13H20N2O2 — CID 104787913

IUPAC3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C13H20N2O2/c16-13-2-1-11(9-13)15-4-3-12(10-15)14-5-7-17-8-6-14/h9,12H,1-8,10H2
InChIKeyVMSBGUVYPWLVSZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.64
Rot. Bonds2

About 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one

3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one (PubChem CID 104787913) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one
PubChem CID104787913
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C13H20N2O2/c16-13-2-1-11(9-13)15-4-3-12(10-15)14-5-7-17-8-6-14/h9,12H,1-8,10H2
InChIKeyVMSBGUVYPWLVSZ-UHFFFAOYSA-N
XLogP0.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one (CID 104787913) is 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one is O=C1C=C(N2CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is VMSBGUVYPWLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13-2-1-11(9-13)15-4-3-12(10-15)14-5-7-17-8-6-14/h9,12H,1-8,10H2.
What are the key properties of 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one?
3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104787913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).