4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one

C11H10N4O — CID 168942656

IUPAC4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
SMILES[H]/N=C(\C)n1c2ccccc2c2[nH][nH]c(=O)c21
InChIInChI=1S/C11H10N4O/c1-6(12)15-8-5-3-2-4-7(8)9-10(15)11(16)14-13-9/h2-5,12H,1H3,(H2,13,14,16)/b12-6+
InChIKeyJQTNFYLBBUKMOE-WUXMJOGZSA-N
MW214.23 g/mol
LogP1.66
Rot. Bonds

About 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one

4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one (PubChem CID 168942656) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one.

Molecular Properties

Compound Name4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
PubChem CID168942656
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
SMILES[H]/N=C(\C)n1c2ccccc2c2[nH][nH]c(=O)c21
InChIInChI=1S/C11H10N4O/c1-6(12)15-8-5-3-2-4-7(8)9-10(15)11(16)14-13-9/h2-5,12H,1H3,(H2,13,14,16)/b12-6+
InChIKeyJQTNFYLBBUKMOE-WUXMJOGZSA-N
XLogP1.66
TPSA77.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
CID 168942784
5-methyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
CID 10242373
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine
CID 142381934
1-carbazol-9-ylethanone;ethane
CID 142183368
ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
CID 11415518
1-(3-methyl-2-sulfanylidene-1H-imidazo[4,5-b]indol-4-yl)ethanone
CID 3505189
[3-ethanimidoyl-2-(methylamino)indol-1-yl]-phenylmethanone
CID 137277765
1-iodo-2H-indazol-3-one
CID 70918362
9-acetyl-3,4-dihydro-2H-carbazol-1-one
CID 853608
1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone
CID 134125020
carbazole-9-carbonyl fluoride
CID 45082000

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one?
The IUPAC name of 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one (CID 168942656) is 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one.
What is the SMILES notation for 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one?
The canonical SMILES for 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one is [H]/N=C(\C)n1c2ccccc2c2[nH][nH]c(=O)c21.
What is the InChIKey of 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one?
The InChIKey is JQTNFYLBBUKMOE-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N4O/c1-6(12)15-8-5-3-2-4-7(8)9-10(15)11(16)14-13-9/h2-5,12H,1H3,(H2,13,14,16)/b12-6+.
What are the key properties of 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one?
4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one has a molecular weight of 214.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one is sourced from PubChem (CID 168942656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).