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

C19H19N3O2 — CID 67398478

IUPAC3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccncc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C19H19N3O2/c23-18-6-3-14(21-18)11-16(13-7-9-20-10-8-13)17-5-4-15(12-1-2-12)19(24)22-17/h4-5,7-12,14H,1-3,6H2,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyHYPHMUOWZIGBKQ-CQSZACIVSA-N
MW321.38 g/mol
LogP2.36
Rot. Bonds4

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

3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one (PubChem CID 67398478) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
PubChem CID67398478
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](C=C(c2ccncc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C19H19N3O2/c23-18-6-3-14(21-18)11-16(13-7-9-20-10-8-13)17-5-4-15(12-1-2-12)19(24)22-17/h4-5,7-12,14H,1-3,6H2,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyHYPHMUOWZIGBKQ-CQSZACIVSA-N
XLogP2.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one (CID 67398478) is 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one is O=C1CC[C@H](C=C(c2ccncc2)c2ccc(C3CC3)c(=O)[nH]2)N1.
What is the InChIKey of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one?
The InChIKey is HYPHMUOWZIGBKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-6-3-14(21-18)11-16(13-7-9-20-10-8-13)17-5-4-15(12-1-2-12)19(24)22-17/h4-5,7-12,14H,1-3,6H2,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).