1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one

C14H20N2O — CID 19987412

IUPAC1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(CC)CC1Cc1ccccn1
InChIInChI=1S/C14H20N2O/c1-3-13-11(10-16(4-2)14(13)17)9-12-7-5-6-8-15-12/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyDOZVFUGTMZPESN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds4

About 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one

1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 19987412) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID19987412
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(CC)CC1Cc1ccccn1
InChIInChI=1S/C14H20N2O/c1-3-13-11(10-16(4-2)14(13)17)9-12-7-5-6-8-15-12/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyDOZVFUGTMZPESN-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 19987412) is 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is CCC1C(=O)N(CC)CC1Cc1ccccn1.
What is the InChIKey of 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is DOZVFUGTMZPESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-13-11(10-16(4-2)14(13)17)9-12-7-5-6-8-15-12/h5-8,11,13H,3-4,9-10H2,1-2H3.
What are the key properties of 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one?
1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).