7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one

C7H13N3O — CID 130141316

IUPAC7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one
SMILESNC1C(=O)NCC2CCNC21
InChIInChI=1S/C7H13N3O/c8-5-6-4(1-2-9-6)3-10-7(5)11/h4-6,9H,1-3,8H2,(H,10,11)
InChIKeyPIXPYUIIUZBILY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.58
Rot. Bonds

About 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one

7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one (PubChem CID 130141316) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one
PubChem CID130141316
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one
SMILESNC1C(=O)NCC2CCNC21
InChIInChI=1S/C7H13N3O/c8-5-6-4(1-2-9-6)3-10-7(5)11/h4-6,9H,1-3,8H2,(H,10,11)
InChIKeyPIXPYUIIUZBILY-UHFFFAOYSA-N
XLogP-1.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one with MolForge

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Related Compounds

(3S,4R)-3,4-diaminopyrrolidin-2-one
CID 55291509
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4S)-3-amino-4-hydroxypyrrolidin-2-one
CID 15484376
(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
CID 170170449
3-amino-1,2,3,4,4a,5,6,7a-octahydropyrrolo[3,4-b]pyridin-7-one
CID 165487345
(3R,4R,5R)-3-amino-4,5-dihydroxypiperidin-2-one
CID 14888092
(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 171921039
3-aminopyrrolidin-2-one
CID 158709416
(3R,6R)-3-amino-6-methylazepan-2-one
CID 129453135
3,3a,4,5,6,6a-hexahydrofuro[2,3-b]pyrrol-2-one
CID 175700137
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one (CID 130141316) is 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one is NC1C(=O)NCC2CCNC21.
What is the InChIKey of 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one?
The InChIKey is PIXPYUIIUZBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-5-6-4(1-2-9-6)3-10-7(5)11/h4-6,9H,1-3,8H2,(H,10,11).
What are the key properties of 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one?
7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one has a molecular weight of 155.20 g/mol, XLogP of -1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,2,3,3a,4,5,7,7a-octahydropyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 130141316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).