5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one

C16H18N2O — CID 104687440

IUPAC5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
SMILESCCC1(Cc2ccc3ncccc3c2)CCC(=O)N1
InChIInChI=1S/C16H18N2O/c1-2-16(8-7-15(19)18-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyOUEYIAVEPXDXQD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.84
Rot. Bonds3

About 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one

5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one (PubChem CID 104687440) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
PubChem CID104687440
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
SMILESCCC1(Cc2ccc3ncccc3c2)CCC(=O)N1
InChIInChI=1S/C16H18N2O/c1-2-16(8-7-15(19)18-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,19)
InChIKeyOUEYIAVEPXDXQD-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one (CID 104687440) is 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one is CCC1(Cc2ccc3ncccc3c2)CCC(=O)N1.
What is the InChIKey of 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one?
The InChIKey is OUEYIAVEPXDXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-16(8-7-15(19)18-16)11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,19).
What are the key properties of 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one?
5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 104687440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).