(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one

C25H30N2O2 — CID 67396302

IUPAC(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C25H30N2O2/c1-25(2,3)18-9-7-17(8-10-18)21(15-19-11-14-23(28)26-19)22-13-12-20(16-5-6-16)24(27-22)29-4/h7-10,12-13,15-16,19H,5-6,11,14H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyBLULWTADACZEJC-LJQANCHMSA-N
MW390.53 g/mol
LogP4.98
Rot. Bonds5

About (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one

(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (PubChem CID 67396302) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
PubChem CID67396302
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C25H30N2O2/c1-25(2,3)18-9-7-17(8-10-18)21(15-19-11-14-23(28)26-19)22-13-12-20(16-5-6-16)24(27-22)29-4/h7-10,12-13,15-16,19H,5-6,11,14H2,1-4H3,(H,26,28)/t19-/m1/s1
InChIKeyBLULWTADACZEJC-LJQANCHMSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (CID 67396302) is (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is COc1nc(C(=C[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1C1CC1.
What is the InChIKey of (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The InChIKey is BLULWTADACZEJC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-25(2,3)18-9-7-17(8-10-18)21(15-19-11-14-23(28)26-19)22-13-12-20(16-5-6-16)24(27-22)29-4/h7-10,12-13,15-16,19H,5-6,11,14H2,1-4H3,(H,26,28)/t19-/m1/s1.
What are the key properties of (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one has a molecular weight of 390.53 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 67396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).