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

C16H23N3O3 — CID 122279888

IUPAC2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC1CN(C(=O)C(C)n2nc3c(cc2=O)CCC3)CC(C)O1
InChIInChI=1S/C16H23N3O3/c1-10-8-18(9-11(2)22-10)16(21)12(3)19-15(20)7-13-5-4-6-14(13)17-19/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyYVIDLHVTJNRZIS-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.93
Rot. Bonds2

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

2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 122279888) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID122279888
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC1CN(C(=O)C(C)n2nc3c(cc2=O)CCC3)CC(C)O1
InChIInChI=1S/C16H23N3O3/c1-10-8-18(9-11(2)22-10)16(21)12(3)19-15(20)7-13-5-4-6-14(13)17-19/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyYVIDLHVTJNRZIS-UHFFFAOYSA-N
XLogP0.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 122279888) is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC1CN(C(=O)C(C)n2nc3c(cc2=O)CCC3)CC(C)O1.
What is the InChIKey of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is YVIDLHVTJNRZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-8-18(9-11(2)22-10)16(21)12(3)19-15(20)7-13-5-4-6-14(13)17-19/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 305.38 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 122279888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).