2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one

C19H23N3O — CID 16666784

IUPAC2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-n3ncccc3=O)cc2)C1
InChIInChI=1S/C19H23N3O/c1-14-4-3-11-21(14)18-12-16(13-18)15-6-8-17(9-7-15)22-19(23)5-2-10-20-22/h2,5-10,14,16,18H,3-4,11-13H2,1H3/t14-,16?,18?/m1/s1
InChIKeyDYGOHAJYVLSOGH-MXWWQKGMSA-N
MW309.41 g/mol
LogP2.96
Rot. Bonds3

About 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one

2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one (PubChem CID 16666784) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
PubChem CID16666784
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-n3ncccc3=O)cc2)C1
InChIInChI=1S/C19H23N3O/c1-14-4-3-11-21(14)18-12-16(13-18)15-6-8-17(9-7-15)22-19(23)5-2-10-20-22/h2,5-10,14,16,18H,3-4,11-13H2,1H3/t14-,16?,18?/m1/s1
InChIKeyDYGOHAJYVLSOGH-MXWWQKGMSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057685
(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057635
2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one
CID 90384055
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine
CID 67057689
1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
CID 16666835
2-(4-tert-butylphenyl)pyridazin-3-one
CID 132581865
2-[4-[(1S,3S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 67479016
(Z)-but-2-enedioic acid;2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one
CID 11583223
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one;sulfuric acid
CID 11539261
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303
3,4-difluoro-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]benzenesulfonamide
CID 67479430
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one (CID 16666784) is 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one is C[C@@H]1CCCN1C1CC(c2ccc(-n3ncccc3=O)cc2)C1.
What is the InChIKey of 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one?
The InChIKey is DYGOHAJYVLSOGH-MXWWQKGMSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-4-3-11-21(14)18-12-16(13-18)15-6-8-17(9-7-15)22-19(23)5-2-10-20-22/h2,5-10,14,16,18H,3-4,11-13H2,1H3/t14-,16?,18?/m1/s1.
What are the key properties of 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one?
2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one has a molecular weight of 309.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 16666784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).