3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one

C20H24N2O3 — CID 170366975

IUPAC3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccn(CC(C)C)c3=O)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)12-21-10-4-5-18(20(21)24)22-13-16(11-19(22)23)15-6-8-17(25-3)9-7-15/h4-10,14,16H,11-13H2,1-3H3/t16-/m0/s1
InChIKeyJORIULNLJDVBSD-INIZCTEOSA-N
MW340.42 g/mol
LogP3.03
Rot. Bonds5

About 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one

3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one (PubChem CID 170366975) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
PubChem CID170366975
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccn(CC(C)C)c3=O)C2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)12-21-10-4-5-18(20(21)24)22-13-16(11-19(22)23)15-6-8-17(25-3)9-7-15/h4-10,14,16H,11-13H2,1-3H3/t16-/m0/s1
InChIKeyJORIULNLJDVBSD-INIZCTEOSA-N
XLogP3.03
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one (CID 170366975) is 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one is COc1ccc([C@H]2CC(=O)N(c3cccn(CC(C)C)c3=O)C2)cc1.
What is the InChIKey of 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is JORIULNLJDVBSD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)12-21-10-4-5-18(20(21)24)22-13-16(11-19(22)23)15-6-8-17(25-3)9-7-15/h4-10,14,16H,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one?
3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 170366975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).