6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C13H19N3O3 — CID 83193225

IUPAC6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CC(C(=O)N2CCC3NC(=O)CCC3C2)CN1
InChIInChI=1S/C13H19N3O3/c17-11-2-1-8-7-16(4-3-10(8)15-11)13(19)9-5-12(18)14-6-9/h8-10H,1-7H2,(H,14,18)(H,15,17)
InChIKeyBFAUJFYBZUBHCN-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.75
Rot. Bonds1

About 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 83193225) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID83193225
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CC(C(=O)N2CCC3NC(=O)CCC3C2)CN1
InChIInChI=1S/C13H19N3O3/c17-11-2-1-8-7-16(4-3-10(8)15-11)13(19)9-5-12(18)14-6-9/h8-10H,1-7H2,(H,14,18)(H,15,17)
InChIKeyBFAUJFYBZUBHCN-UHFFFAOYSA-N
XLogP-0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 104914426
6-(2-sulfanylpropanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033206
6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82916460
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
N-methyl-2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbothioamide
CID 116509600
6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 115348360
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
CID 81483173
4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 81450416
6-(4-sulfanylbenzoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033208

Frequently Asked Questions

What is the IUPAC name of 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 83193225) is 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is O=C1CC(C(=O)N2CCC3NC(=O)CCC3C2)CN1.
What is the InChIKey of 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is BFAUJFYBZUBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-2-1-8-7-16(4-3-10(8)15-11)13(19)9-5-12(18)14-6-9/h8-10H,1-7H2,(H,14,18)(H,15,17).
What are the key properties of 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 83193225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).