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

C22H25ClN2O2 — CID 67399197

IUPAC(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-22(2,3)15-7-5-14(6-8-15)17(13-16-9-12-20(26)24-16)19-11-10-18(23)21(25-19)27-4/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,24,26)/b17-13-/t16-/m1/s1
InChIKeySBNJRVRWWZGBNW-UDLNKVAWSA-N
MW384.91 g/mol
LogP4.75
Rot. Bonds4

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

(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (PubChem CID 67399197) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
PubChem CID67399197
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-22(2,3)15-7-5-14(6-8-15)17(13-16-9-12-20(26)24-16)19-11-10-18(23)21(25-19)27-4/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,24,26)/b17-13-/t16-/m1/s1
InChIKeySBNJRVRWWZGBNW-UDLNKVAWSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67396302
(5R)-5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398498
(5R)-5-[(E)-2-(5-chloro-6-methoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 67395942
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
6-[(E)-3-bromo-1-(4-tert-butylphenyl)prop-1-enyl]-3-chloro-2-methoxypyridine
CID 58452814
(5R)-5-[(E)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398778
2-[(E)-3-(4-tert-butylphenyl)-3-(5-chloro-6-methoxy-2-pyridinyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one
CID 67401025
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669
3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
CID 67401232
tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate
CID 123656564
(5R)-5-[(E)-2-(3-chloro-4-hydroxyphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one;(4-chlorophenyl)boronic acid
CID 162208577
3-chloro-6-[1-(4-cyclopropylsulfanylphenyl)-2-pyrrolidin-3-ylethenyl]-2-methoxypyridine
CID 77278403

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (CID 67399197) is (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is COc1nc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C(C)(C)C)cc2)ccc1Cl.
What is the InChIKey of (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The InChIKey is SBNJRVRWWZGBNW-UDLNKVAWSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-22(2,3)15-7-5-14(6-8-15)17(13-16-9-12-20(26)24-16)19-11-10-18(23)21(25-19)27-4/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,24,26)/b17-13-/t16-/m1/s1.
What are the key properties of (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one has a molecular weight of 384.91 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 67399197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).