(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone

C11H14N2O — CID 4521351

IUPAC(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone
SMILESCN1CCC(C(=O)c2cccnc2)C1
InChIInChI=1S/C11H14N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3
InChIKeyARYQLVJXQFGHLA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.22
Rot. Bonds2

About (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone

(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone (PubChem CID 4521351) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone
PubChem CID4521351
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone
SMILESCN1CCC(C(=O)c2cccnc2)C1
InChIInChI=1S/C11H14N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3
InChIKeyARYQLVJXQFGHLA-UHFFFAOYSA-N
XLogP1.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone (CID 4521351) is (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone is CN1CCC(C(=O)c2cccnc2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone?
The InChIKey is ARYQLVJXQFGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-6-4-10(8-13)11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone?
(1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone has a molecular weight of 190.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 4521351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).