3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one

C10H15N3O — CID 105447221

IUPAC3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
SMILESCC(C)N1Cc2cc(N)c(=O)[nH]c2C1
InChIInChI=1S/C10H15N3O/c1-6(2)13-4-7-3-8(11)10(14)12-9(7)5-13/h3,6H,4-5,11H2,1-2H3,(H,12,14)
InChIKeyWDQRJLGUKHPFAQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.68
Rot. Bonds1

About 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one

3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 105447221) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID105447221
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
SMILESCC(C)N1Cc2cc(N)c(=O)[nH]c2C1
InChIInChI=1S/C10H15N3O/c1-6(2)13-4-7-3-8(11)10(14)12-9(7)5-13/h3,6H,4-5,11H2,1-2H3,(H,12,14)
InChIKeyWDQRJLGUKHPFAQ-UHFFFAOYSA-N
XLogP0.68
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 105477997
3-amino-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 105432695
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83845987
5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 156709739
6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridin-4-amine
CID 137417876
ethyl 2-oxo-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetate
CID 117407563
2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile
CID 155230421
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64535130
3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
CID 176640371
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
3-amino-5-propan-2-yl-1H-pyridin-2-one
CID 105429770

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one (CID 105447221) is 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one is CC(C)N1Cc2cc(N)c(=O)[nH]c2C1.
What is the InChIKey of 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is WDQRJLGUKHPFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)13-4-7-3-8(11)10(14)12-9(7)5-13/h3,6H,4-5,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one?
3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propan-2-yl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 105447221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).