(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

CID 75416970
CID 75416970
CID 67395942
CID 67395942
CID 67395943
CID 67395943
CID 140283354
CID 140283354
CID 160943096
CID 160943096
CID 13882972
CID 13882972
CID 51341993
CID 51341993
CID 58452317
CID 58452317
CID 58452452
CID 58452452
CID 58452568
CID 58452568
CID 67395938
CID 67395938
CID 67395941
CID 67395941

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).