5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

C12H20N2O — CID 135135401

IUPAC5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESCOC1=C(CC2CCNC2)NC(C)C=C1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(15-2)11(14-9)7-10-5-6-13-8-10/h3-4,9-10,13-14H,5-8H2,1-2H3
InChIKeyKTXPYZUIKBOIGP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds3

About 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (PubChem CID 135135401) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
PubChem CID135135401
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESCOC1=C(CC2CCNC2)NC(C)C=C1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(15-2)11(14-9)7-10-5-6-13-8-10/h3-4,9-10,13-14H,5-8H2,1-2H3
InChIKeyKTXPYZUIKBOIGP-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (CID 135135401) is 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is COC1=C(CC2CCNC2)NC(C)C=C1.
What is the InChIKey of 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The InChIKey is KTXPYZUIKBOIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-12(15-2)11(14-9)7-10-5-6-13-8-10/h3-4,9-10,13-14H,5-8H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine has a molecular weight of 208.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 135135401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).