dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine

C22H38N2O2 — CID 51042709

IUPACdodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCCCCCCCCCCCC(=O)O.CN1CCCC1c1cccnc1
InChIInChI=1S/C12H24O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-11H2,1H3,(H,13,14);2,4,6,8,10H,3,5,7H2,1H3
InChIKeyZDBSZLXHLZRTGL-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.84
Rot. Bonds11

About dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine

dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 51042709) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namedodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID51042709
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Namedodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCCCCCCCCCCCC(=O)O.CN1CCCC1c1cccnc1
InChIInChI=1S/C12H24O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-11H2,1H3,(H,13,14);2,4,6,8,10H,3,5,7H2,1H3
InChIKeyZDBSZLXHLZRTGL-UHFFFAOYSA-N
XLogP5.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.84
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

3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
4-methoxy-4-oxobutanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174471430
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
2,3-dihydroxybutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine;4-oxopentanoic acid
CID 66766245

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine (CID 51042709) is dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine is CCCCCCCCCCCC(=O)O.CN1CCCC1c1cccnc1.
What is the InChIKey of dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is ZDBSZLXHLZRTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-11H2,1H3,(H,13,14);2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine?
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 362.56 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 51042709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).