1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one

C9H12N2O2 — CID 138373757

IUPAC1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one
SMILESO=C1NCC[C@H]1N1CCC=CC1=O
InChIInChI=1S/C9H12N2O2/c12-8-3-1-2-6-11(8)7-4-5-10-9(7)13/h1,3,7H,2,4-6H2,(H,10,13)/t7-/m1/s1
InChIKeyCYQVIKYXVRCSJH-SSDOTTSWSA-N
MW180.21 g/mol
LogP-0.34
Rot. Bonds1

About 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one

1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one (PubChem CID 138373757) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one
PubChem CID138373757
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one
SMILESO=C1NCC[C@H]1N1CCC=CC1=O
InChIInChI=1S/C9H12N2O2/c12-8-3-1-2-6-11(8)7-4-5-10-9(7)13/h1,3,7H,2,4-6H2,(H,10,13)/t7-/m1/s1
InChIKeyCYQVIKYXVRCSJH-SSDOTTSWSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one (CID 138373757) is 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one is O=C1NCC[C@H]1N1CCC=CC1=O.
What is the InChIKey of 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one?
The InChIKey is CYQVIKYXVRCSJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-3-1-2-6-11(8)7-4-5-10-9(7)13/h1,3,7H,2,4-6H2,(H,10,13)/t7-/m1/s1.
What are the key properties of 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one?
1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one has a molecular weight of 180.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxopyrrolidin-3-yl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138373757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).