2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C16H23N3O2 — CID 126923085

IUPAC2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(CC1CCCC1)N1CCCC1Cn1ncccc1=O
InChIInChI=1S/C16H23N3O2/c20-15-8-3-9-17-19(15)12-14-7-4-10-18(14)16(21)11-13-5-1-2-6-13/h3,8-9,13-14H,1-2,4-7,10-12H2
InChIKeyZQQPTKHKVXDMPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.81
Rot. Bonds4

About 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923085) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923085
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(CC1CCCC1)N1CCCC1Cn1ncccc1=O
InChIInChI=1S/C16H23N3O2/c20-15-8-3-9-17-19(15)12-14-7-4-10-18(14)16(21)11-13-5-1-2-6-13/h3,8-9,13-14H,1-2,4-7,10-12H2
InChIKeyZQQPTKHKVXDMPG-UHFFFAOYSA-N
XLogP1.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923128
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923127
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925057
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923237
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-[(1-pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923329

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923085) is 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(CC1CCCC1)N1CCCC1Cn1ncccc1=O.
What is the InChIKey of 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is ZQQPTKHKVXDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-8-3-9-17-19(15)12-14-7-4-10-18(14)16(21)11-13-5-1-2-6-13/h3,8-9,13-14H,1-2,4-7,10-12H2.
What are the key properties of 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).