1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid

C11H12N2O5 — CID 69430460

IUPAC1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
SMILESCN1CC(=O)C1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C9H10N2O.C2H2O4/c1-11-6-8(12)9(11)7-3-2-4-10-5-7;3-1(4)2(5)6/h2-5,9H,6H2,1H3;(H,3,4)(H,5,6)
InChIKeyOHFPNRWBWZQTST-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.21
Rot. Bonds1

About 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid

1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid (PubChem CID 69430460) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
PubChem CID69430460
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
SMILESCN1CC(=O)C1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C9H10N2O.C2H2O4/c1-11-6-8(12)9(11)7-3-2-4-10-5-7;3-1(4)2(5)6/h2-5,9H,6H2,1H3;(H,3,4)(H,5,6)
InChIKeyOHFPNRWBWZQTST-UHFFFAOYSA-N
XLogP-0.21
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine
CID 67821215
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
CID 67821205
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
CID 19105223
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid?
The IUPAC name of 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid (CID 69430460) is 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid.
What is the SMILES notation for 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid?
The canonical SMILES for 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid is CN1CC(=O)C1c1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid?
The InChIKey is OHFPNRWBWZQTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H2O4/c1-11-6-8(12)9(11)7-3-2-4-10-5-7;3-1(4)2(5)6/h2-5,9H,6H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid?
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid has a molecular weight of 252.23 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid is sourced from PubChem (CID 69430460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).