2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C14H19N3O3 — CID 122279887

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C14H19N3O3/c1-10(14(19)16-5-7-20-8-6-16)17-13(18)9-11-3-2-4-12(11)15-17/h9-10H,2-8H2,1H3
InChIKeyYPZXBZMNVDIEHY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.15
Rot. Bonds2

About 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 122279887) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID122279887
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCOCC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C14H19N3O3/c1-10(14(19)16-5-7-20-8-6-16)17-13(18)9-11-3-2-4-12(11)15-17/h9-10H,2-8H2,1H3
InChIKeyYPZXBZMNVDIEHY-UHFFFAOYSA-N
XLogP0.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 122279887) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C(=O)N1CCOCC1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is YPZXBZMNVDIEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(14(19)16-5-7-20-8-6-16)17-13(18)9-11-3-2-4-12(11)15-17/h9-10H,2-8H2,1H3.
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 277.32 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 122279887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).