1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one

C10H15N3O — CID 176916657

IUPAC1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one
SMILESNCCCN1CCc2cc[nH]c(=O)c21
InChIInChI=1S/C10H15N3O/c11-4-1-6-13-7-3-8-2-5-12-10(14)9(8)13/h2,5H,1,3-4,6-7,11H2,(H,12,14)
InChIKeyYYTGEWRFEGJZNU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.09
Rot. Bonds3

About 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one

1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 176916657) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID176916657
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one
SMILESNCCCN1CCc2cc[nH]c(=O)c21
InChIInChI=1S/C10H15N3O/c11-4-1-6-13-7-3-8-2-5-12-10(14)9(8)13/h2,5H,1,3-4,6-7,11H2,(H,12,14)
InChIKeyYYTGEWRFEGJZNU-UHFFFAOYSA-N
XLogP0.09
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one hydrochloride
CID 122164536
1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one
CID 84649420
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
6-(3-oxobutan-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-7-one
CID 54344134
1,3-dimethyl-2-propan-2-yl-6H-pyrrolo[2,3-c]pyridin-5-one
CID 59974883
1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
CID 59974886
4-methyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
CID 67845675
3-(Aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 68532236
3-Amino-1,7a-dihydroindol-2-one
CID 69177347
5-(7-amino-3-oxo-6,7-dihydro-1H-isoindol-2-yl)-3H-pyridine-2,6-dione
CID 69421356
3,6-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-one
CID 90167656

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one (CID 176916657) is 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one is NCCCN1CCc2cc[nH]c(=O)c21.
What is the InChIKey of 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is YYTGEWRFEGJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-4-1-6-13-7-3-8-2-5-12-10(14)9(8)13/h2,5H,1,3-4,6-7,11H2,(H,12,14).
What are the key properties of 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one?
1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 193.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,6-dihydro-2H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 176916657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).