3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C22H24N2O2 — CID 67400265

IUPAC3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCCc1ccc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-14-3-5-16(6-4-14)19(13-17-9-12-21(25)23-17)20-11-10-18(15-7-8-15)22(26)24-20/h3-6,10-11,13,15,17H,2,7-9,12H2,1H3,(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyKULYBDQAVSYUNV-QGZVFWFLSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds5

About 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 67400265) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID67400265
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCCc1ccc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-14-3-5-16(6-4-14)19(13-17-9-12-21(25)23-17)20-11-10-18(15-7-8-15)22(26)24-20/h3-6,10-11,13,15,17H,2,7-9,12H2,1H3,(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyKULYBDQAVSYUNV-QGZVFWFLSA-N
XLogP3.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
3-cyclopropyl-6-[(Z)-1-(3,4-difluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399056
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398857
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53245893
3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452771
6-[1-[3-chloro-4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400445
6-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400078
6-[1-(3-chloro-4-propoxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399572
3-cyclopropyl-6-[1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400339
3-cyclopropyl-6-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452371
3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67398416

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 67400265) is 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is CCc1ccc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is KULYBDQAVSYUNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-14-3-5-16(6-4-14)19(13-17-9-12-21(25)23-17)20-11-10-18(15-7-8-15)22(26)24-20/h3-6,10-11,13,15,17H,2,7-9,12H2,1H3,(H,23,25)(H,24,26)/t17-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67400265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).