3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one

C12H20N2O2 — CID 104788232

IUPAC3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCCN2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c15-12-3-2-11(10-12)13-4-1-5-14-6-8-16-9-7-14/h10,13H,1-9H2
InChIKeyGUCXGXAFFCXBGG-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.55
Rot. Bonds5

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

3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one (PubChem CID 104788232) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one
PubChem CID104788232
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCCN2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c15-12-3-2-11(10-12)13-4-1-5-14-6-8-16-9-7-14/h10,13H,1-9H2
InChIKeyGUCXGXAFFCXBGG-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one (CID 104788232) is 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one is O=C1C=C(NCCCN2CCOCC2)CC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one?
The InChIKey is GUCXGXAFFCXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12-3-2-11(10-12)13-4-1-5-14-6-8-16-9-7-14/h10,13H,1-9H2.
What are the key properties of 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one?
3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).