5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one

C19H24N2O2 — CID 57397650

IUPAC5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeySQQDRVSBXRKISM-OAHLLOKOSA-N
MW312.41 g/mol
LogP3.30
Rot. Bonds6

About 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one

5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one (PubChem CID 57397650) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one
PubChem CID57397650
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeySQQDRVSBXRKISM-OAHLLOKOSA-N
XLogP3.30
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Irdabisant
CID 25070031
Tmppaa
CID 889955
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
Irdabisant Hydrochloride
CID 53363810
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 53363442
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 54764158
1-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 11515374
N-{1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-yl}-acetamide
CID 18678308
2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995678
2,6-dimethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995682

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one (CID 57397650) is 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one?
The InChIKey is SQQDRVSBXRKISM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one?
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 57397650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).