5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

C11H18N2 — CID 135135306

IUPAC5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=C(CC2CCNC2)CCN=C1
InChIInChI=1S/C11H18N2/c1-9-7-12-5-3-11(9)6-10-2-4-13-8-10/h7,10,13H,2-6,8H2,1H3
InChIKeyGOXDDILFBKHQRG-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.78
Rot. Bonds2

About 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (PubChem CID 135135306) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
PubChem CID135135306
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=C(CC2CCNC2)CCN=C1
InChIInChI=1S/C11H18N2/c1-9-7-12-5-3-11(9)6-10-2-4-13-8-10/h7,10,13H,2-6,8H2,1H3
InChIKeyGOXDDILFBKHQRG-UHFFFAOYSA-N
XLogP1.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (CID 135135306) is 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is CC1=C(CC2CCNC2)CCN=C1.
What is the InChIKey of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The InChIKey is GOXDDILFBKHQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-12-5-3-11(9)6-10-2-4-13-8-10/h7,10,13H,2-6,8H2,1H3.
What are the key properties of 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 135135306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).