4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine

C10H16N2 — CID 144839762

IUPAC4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine
SMILESCC1C=CN=C([C@@H]2CCCN2)C1
InChIInChI=1S/C10H16N2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t8?,9-/m0/s1
InChIKeyIQHYSMABYGNPET-GKAPJAKFSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds1

About 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine

4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine (PubChem CID 144839762) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine
PubChem CID144839762
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine
SMILESCC1C=CN=C([C@@H]2CCCN2)C1
InChIInChI=1S/C10H16N2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t8?,9-/m0/s1
InChIKeyIQHYSMABYGNPET-GKAPJAKFSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine?
The IUPAC name of 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine (CID 144839762) is 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine.
What is the SMILES notation for 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine?
The canonical SMILES for 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine is CC1C=CN=C([C@@H]2CCCN2)C1.
What is the InChIKey of 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine?
The InChIKey is IQHYSMABYGNPET-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-4-6-12-10(7-8)9-3-2-5-11-9/h4,6,8-9,11H,2-3,5,7H2,1H3/t8?,9-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine?
4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydropyridine is sourced from PubChem (CID 144839762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).