(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one

C12H13ClN2O2 — CID 67398590

IUPAC(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C=C[C@H]2CCC(=O)N2)ccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-17-12-10(13)6-4-9(15-12)3-2-8-5-7-11(16)14-8/h2-4,6,8H,5,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyYFEFDDVNGANGDN-QMMMGPOBSA-N
MW252.70 g/mol
LogP2.04
Rot. Bonds3

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

(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (PubChem CID 67398590) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
PubChem CID67398590
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
SMILESCOc1nc(C=C[C@H]2CCC(=O)N2)ccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-17-12-10(13)6-4-9(15-12)3-2-8-5-7-11(16)14-8/h2-4,6,8H,5,7H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyYFEFDDVNGANGDN-QMMMGPOBSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67399197
(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
(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one
CID 67398531
(5S)-5-[(Z)-2-(furan-2-yl)ethenyl]pyrrolidin-2-one
CID 131234360
(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
CID 142013382
(5R)-5-[(E)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398778
5-[(2R)-1-[[5-(2-chloro-3-hydroxyphenyl)-3-methoxypyrazin-2-yl]methylamino]propan-2-yl]pyrrolidin-2-one
CID 167185847
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
3-chloro-6-[(E)-1-[4-(2-methylpropyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452301
(5R)-5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 138964267
3-chloro-6-[(E)-2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethenyl]-1H-pyridin-2-one
CID 58452554

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one (CID 67398590) is (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is COc1nc(C=C[C@H]2CCC(=O)N2)ccc1Cl.
What is the InChIKey of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
The InChIKey is YFEFDDVNGANGDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-17-12-10(13)6-4-9(15-12)3-2-8-5-7-11(16)14-8/h2-4,6,8H,5,7H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one?
(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 67398590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).