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

C19H21N3O2 — CID 126923128

IUPAC2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(N1CCCC1Cn1ncccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-17-9-4-12-20-22(17)14-16-8-5-13-21(16)18(24)19(10-11-19)15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2
InChIKeyGUTGAYICIIRFBR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.97
Rot. Bonds4

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

2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923128) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923128
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(N1CCCC1Cn1ncccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c23-17-9-4-12-20-22(17)14-16-8-5-13-21(16)18(24)19(10-11-19)15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2
InChIKeyGUTGAYICIIRFBR-UHFFFAOYSA-N
XLogP1.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926063
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923127
2-[[1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923129
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923128) is 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(N1CCCC1Cn1ncccc1=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is GUTGAYICIIRFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-17-9-4-12-20-22(17)14-16-8-5-13-21(16)18(24)19(10-11-19)15-6-2-1-3-7-15/h1-4,6-7,9,12,16H,5,8,10-11,13-14H2.
What are the key properties of 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 323.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).