formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one

C18H22N2O3 — CID 154907704

IUPACformic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
SMILESCC(c1cccc(-c2ccc(=O)[nH]c2)c1)N1CCCC1.O=CO
InChIInChI=1S/C17H20N2O.CH2O2/c1-13(19-9-2-3-10-19)14-5-4-6-15(11-14)16-7-8-17(20)18-12-16;2-1-3/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,20);1H,(H,2,3)
InChIKeyLTKDMBYGGULKQD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds3

About formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one

formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one (PubChem CID 154907704) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameformic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
PubChem CID154907704
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameformic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
SMILESCC(c1cccc(-c2ccc(=O)[nH]c2)c1)N1CCCC1.O=CO
InChIInChI=1S/C17H20N2O.CH2O2/c1-13(19-9-2-3-10-19)14-5-4-6-15(11-14)16-7-8-17(20)18-12-16;2-1-3/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,20);1H,(H,2,3)
InChIKeyLTKDMBYGGULKQD-UHFFFAOYSA-N
XLogP2.90
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274
5-ethyl-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole;formic acid
CID 172896626
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-quinazoline-2,4-dione
CID 95120206
3-methyl-6-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,4-dihydroquinazolin-2-one
CID 125437544
2-(methylamino)-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]benzoic acid
CID 95213267
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
1,3,6-trimethyl-5-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine-2,4-dione
CID 95120369
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one (CID 154907704) is formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one is CC(c1cccc(-c2ccc(=O)[nH]c2)c1)N1CCCC1.O=CO.
What is the InChIKey of formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is LTKDMBYGGULKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.CH2O2/c1-13(19-9-2-3-10-19)14-5-4-6-15(11-14)16-7-8-17(20)18-12-16;2-1-3/h4-8,11-13H,2-3,9-10H2,1H3,(H,18,20);1H,(H,2,3).
What are the key properties of formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one?
formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 154907704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).