(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C14H19NO3 — CID 141420654

IUPAC(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C[C@H]2C(=O)NCC2[C@@H](C)O)cc1
InChIInChI=1S/C14H19NO3/c1-9(16)13-8-15-14(17)12(13)7-10-3-5-11(18-2)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t9-,12-,13?/m1/s1
InChIKeyFXXNVPJQRZJMMU-PDFXSYEUSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds4

About (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 141420654) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID141420654
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C[C@H]2C(=O)NCC2[C@@H](C)O)cc1
InChIInChI=1S/C14H19NO3/c1-9(16)13-8-15-14(17)12(13)7-10-3-5-11(18-2)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t9-,12-,13?/m1/s1
InChIKeyFXXNVPJQRZJMMU-PDFXSYEUSA-N
XLogP0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 141420654) is (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(C[C@H]2C(=O)NCC2[C@@H](C)O)cc1.
What is the InChIKey of (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is FXXNVPJQRZJMMU-PDFXSYEUSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(16)13-8-15-14(17)12(13)7-10-3-5-11(18-2)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,15,17)/t9-,12-,13?/m1/s1.
What are the key properties of (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
(3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 141420654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).