(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one

C19H25NO2 — CID 138510318

IUPAC(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one
SMILESC[C@]1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H25NO2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3/t19-/m1/s1
InChIKeyWUHPRWKVRHTORO-LJQANCHMSA-N
MW299.41 g/mol
LogP3.69
Rot. Bonds4

About (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one

(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one (PubChem CID 138510318) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one
PubChem CID138510318
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one
SMILESC[C@]1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H25NO2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3/t19-/m1/s1
InChIKeyWUHPRWKVRHTORO-LJQANCHMSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one?
The IUPAC name of (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one (CID 138510318) is (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one is C[C@]1(C2CCCCC2)CCN(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one?
The InChIKey is WUHPRWKVRHTORO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(16-10-6-3-7-11-16)12-13-20(18(19)22)14-17(21)15-8-4-2-5-9-15/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one?
(3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-3-methyl-1-phenacylpyrrolidin-2-one is sourced from PubChem (CID 138510318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).