methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate

C14H20N2O4 — CID 66875216

IUPACmethyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(OC)cc1=O
InChIInChI=1S/C14H20N2O4/c1-19-11-8-13(17)16(15-9-11)12(14(18)20-2)7-10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyYEIPZJHULJQCHM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.55
Rot. Bonds5

About methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate

methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate (PubChem CID 66875216) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate
PubChem CID66875216
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1ncc(OC)cc1=O
InChIInChI=1S/C14H20N2O4/c1-19-11-8-13(17)16(15-9-11)12(14(18)20-2)7-10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyYEIPZJHULJQCHM-UHFFFAOYSA-N
XLogP1.55
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate (CID 66875216) is methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate is COC(=O)C(CC1CCCC1)n1ncc(OC)cc1=O.
What is the InChIKey of methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate?
The InChIKey is YEIPZJHULJQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-11-8-13(17)16(15-9-11)12(14(18)20-2)7-10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate?
methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate has a molecular weight of 280.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-(4-methoxy-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 66875216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).