(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one

C16H23NO3 — CID 135039833

IUPAC(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one
SMILESCC(C)[C@@H](OCc1ccccc1)[C@]1(CO)CCC(=O)N1
InChIInChI=1S/C16H23NO3/c1-12(2)15(16(11-18)9-8-14(19)17-16)20-10-13-6-4-3-5-7-13/h3-7,12,15,18H,8-11H2,1-2H3,(H,17,19)/t15-,16-/m1/s1
InChIKeyOZRKLZIZTLHLPK-HZPDHXFCSA-N
MW277.36 g/mol
LogP1.87
Rot. Bonds6

About (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one

(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one (PubChem CID 135039833) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one
PubChem CID135039833
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one
SMILESCC(C)[C@@H](OCc1ccccc1)[C@]1(CO)CCC(=O)N1
InChIInChI=1S/C16H23NO3/c1-12(2)15(16(11-18)9-8-14(19)17-16)20-10-13-6-4-3-5-7-13/h3-7,12,15,18H,8-11H2,1-2H3,(H,17,19)/t15-,16-/m1/s1
InChIKeyOZRKLZIZTLHLPK-HZPDHXFCSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one (CID 135039833) is (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one is CC(C)[C@@H](OCc1ccccc1)[C@]1(CO)CCC(=O)N1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one?
The InChIKey is OZRKLZIZTLHLPK-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)15(16(11-18)9-8-14(19)17-16)20-10-13-6-4-3-5-7-13/h3-7,12,15,18H,8-11H2,1-2H3,(H,17,19)/t15-,16-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one?
(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 135039833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).