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

C9H14N2O2 — CID 104788668

IUPAC3-(morpholin-4-ylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NN2CCOCC2)CC1
InChIInChI=1S/C9H14N2O2/c12-9-2-1-8(7-9)10-11-3-5-13-6-4-11/h7,10H,1-6H2
InChIKeyPXUHGXCEOFYLDF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.07
Rot. Bonds2

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

3-(morpholin-4-ylamino)cyclopent-2-en-1-one (PubChem CID 104788668) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(morpholin-4-ylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(morpholin-4-ylamino)cyclopent-2-en-1-one
PubChem CID104788668
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(morpholin-4-ylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NN2CCOCC2)CC1
InChIInChI=1S/C9H14N2O2/c12-9-2-1-8(7-9)10-11-3-5-13-6-4-11/h7,10H,1-6H2
InChIKeyPXUHGXCEOFYLDF-UHFFFAOYSA-N
XLogP0.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(morpholin-4-ylamino)cyclopent-2-en-1-one (CID 104788668) is 3-(morpholin-4-ylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(morpholin-4-ylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(morpholin-4-ylamino)cyclopent-2-en-1-one is O=C1C=C(NN2CCOCC2)CC1.
What is the InChIKey of 3-(morpholin-4-ylamino)cyclopent-2-en-1-one?
The InChIKey is PXUHGXCEOFYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9-2-1-8(7-9)10-11-3-5-13-6-4-11/h7,10H,1-6H2.
What are the key properties of 3-(morpholin-4-ylamino)cyclopent-2-en-1-one?
3-(morpholin-4-ylamino)cyclopent-2-en-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).