3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one

C13H18N2O — CID 19987427

IUPAC3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1Cc1ccccn1
InChIInChI=1S/C13H18N2O/c1-3-12-10(9-15(2)13(12)16)8-11-6-4-5-7-14-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyBRNHZOQGDCTBIP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.74
Rot. Bonds3

About 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one

3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 19987427) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID19987427
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1Cc1ccccn1
InChIInChI=1S/C13H18N2O/c1-3-12-10(9-15(2)13(12)16)8-11-6-4-5-7-14-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyBRNHZOQGDCTBIP-UHFFFAOYSA-N
XLogP1.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 19987427) is 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is CCC1C(=O)N(C)CC1Cc1ccccn1.
What is the InChIKey of 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is BRNHZOQGDCTBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-12-10(9-15(2)13(12)16)8-11-6-4-5-7-14-11/h4-7,10,12H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).