2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H21N3O2 — CID 115969065

IUPAC2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2=O)c(C)nn1
InChIInChI=1S/C16H21N3O2/c1-10-9-13(11(2)18-17-10)16(21)19-8-4-6-14(19)12-5-3-7-15(12)20/h9,12,14H,3-8H2,1-2H3
InChIKeyPFPHUMLWSPGXKA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.07
Rot. Bonds2

About 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 115969065) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID115969065
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2=O)c(C)nn1
InChIInChI=1S/C16H21N3O2/c1-10-9-13(11(2)18-17-10)16(21)19-8-4-6-14(19)12-5-3-7-15(12)20/h9,12,14H,3-8H2,1-2H3
InChIKeyPFPHUMLWSPGXKA-UHFFFAOYSA-N
XLogP2.07
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 79538492
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546267
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539008
2-[1-(3-hydroxypyridine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 81445915
2-[1-(5-chloro-2-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 115969065) is 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1cc(C(=O)N2CCCC2C2CCCC2=O)c(C)nn1.
What is the InChIKey of 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is PFPHUMLWSPGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-9-13(11(2)18-17-10)16(21)19-8-4-6-14(19)12-5-3-7-15(12)20/h9,12,14H,3-8H2,1-2H3.
What are the key properties of 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethylpyridazine-4-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 115969065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).