(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one

C14H20N2O2 — CID 124757294

IUPAC(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)ccn2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-11-3-4-15-13(7-11)8-12-9-14(17)16(10-12)5-6-18-2/h3-4,7,12H,5-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyWBCYRTNRQAWETN-LBPRGKRZSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds5

About (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 124757294) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID124757294
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C)ccn2)CC1=O
InChIInChI=1S/C14H20N2O2/c1-11-3-4-15-13(7-11)8-12-9-14(17)16(10-12)5-6-18-2/h3-4,7,12H,5-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeyWBCYRTNRQAWETN-LBPRGKRZSA-N
XLogP1.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one (CID 124757294) is (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one is COCCN1C[C@@H](Cc2cc(C)ccn2)CC1=O.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is WBCYRTNRQAWETN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-3-4-15-13(7-11)8-12-9-14(17)16(10-12)5-6-18-2/h3-4,7,12H,5-6,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124757294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).