2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine

C14H19N3 — CID 174932000

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine
SMILESCN1CCC[C@H]1c1ccc[nH]1.c1ccncc1
InChIInChI=1S/C9H14N2.C5H5N/c1-11-7-3-5-9(11)8-4-2-6-10-8;1-2-4-6-5-3-1/h2,4,6,9-10H,3,5,7H2,1H3;1-5H/t9-;/m0./s1
InChIKeyWERHJPSDIMJRRF-FVGYRXGTSA-N
MW229.33 g/mol
LogP2.86
Rot. Bonds1

About 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine

2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine (PubChem CID 174932000) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine
PubChem CID174932000
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine
SMILESCN1CCC[C@H]1c1ccc[nH]1.c1ccncc1
InChIInChI=1S/C9H14N2.C5H5N/c1-11-7-3-5-9(11)8-4-2-6-10-8;1-2-4-6-5-3-1/h2,4,6,9-10H,3,5,7H2,1H3;1-5H/t9-;/m0./s1
InChIKeyWERHJPSDIMJRRF-FVGYRXGTSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine (CID 174932000) is 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine is CN1CCC[C@H]1c1ccc[nH]1.c1ccncc1.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine?
The InChIKey is WERHJPSDIMJRRF-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H14N2.C5H5N/c1-11-7-3-5-9(11)8-4-2-6-10-8;1-2-4-6-5-3-1/h2,4,6,9-10H,3,5,7H2,1H3;1-5H/t9-;/m0./s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine?
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine has a molecular weight of 229.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrole;pyridine is sourced from PubChem (CID 174932000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).