3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one

C17H21N3O — CID 44539868

IUPAC3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyCMELSLWOMXYKFN-CYBMUJFWSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds4

About 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one

3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one (PubChem CID 44539868) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
PubChem CID44539868
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyCMELSLWOMXYKFN-CYBMUJFWSA-N
XLogP2.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one (CID 44539868) is 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
The InChIKey is CMELSLWOMXYKFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-3-2-11-20(13)12-10-14-4-6-15(7-5-14)16-8-9-17(21)19-18-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one?
3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one has a molecular weight of 283.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 44539868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).