3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one

C12H20N2O2 — CID 104788390

IUPAC3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(CN1CCOCC1)NC1=CC(=O)CC1
InChIInChI=1S/C12H20N2O2/c1-10(9-14-4-6-16-7-5-14)13-11-2-3-12(15)8-11/h8,10,13H,2-7,9H2,1H3
InChIKeyLUGQZUIJYBPZMM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds4

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

3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one (PubChem CID 104788390) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one
PubChem CID104788390
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(CN1CCOCC1)NC1=CC(=O)CC1
InChIInChI=1S/C12H20N2O2/c1-10(9-14-4-6-16-7-5-14)13-11-2-3-12(15)8-11/h8,10,13H,2-7,9H2,1H3
InChIKeyLUGQZUIJYBPZMM-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one (CID 104788390) is 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one is CC(CN1CCOCC1)NC1=CC(=O)CC1.
What is the InChIKey of 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one?
The InChIKey is LUGQZUIJYBPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(9-14-4-6-16-7-5-14)13-11-2-3-12(15)8-11/h8,10,13H,2-7,9H2,1H3.
What are the key properties of 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one?
3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-morpholin-4-ylpropan-2-ylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).