2-propanoyl-1H-indazol-3-one

C10H10N2O2 — CID 14947978

IUPAC2-propanoyl-1H-indazol-3-one
SMILESCCC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C10H10N2O2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11-12/h3-6,11H,2H2,1H3
InChIKeyCOVXAHHGZBYIFD-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.38
Rot. Bonds1

About 2-propanoyl-1H-indazol-3-one

2-propanoyl-1H-indazol-3-one (PubChem CID 14947978) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-propanoyl-1H-indazol-3-one.

Molecular Properties

Compound Name2-propanoyl-1H-indazol-3-one
PubChem CID14947978
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-propanoyl-1H-indazol-3-one
SMILESCCC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C10H10N2O2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11-12/h3-6,11H,2H2,1H3
InChIKeyCOVXAHHGZBYIFD-UHFFFAOYSA-N
XLogP1.38
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidine-1-carbonyl)-1H-indazol-3-one
CID 67082076
4-phenyl-1-propanoyl-1,2,4-triazolidine-3,5-dione
CID 101118935
2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
CID 90945721
9H-carbazole;propanoic acid
CID 68841226
ethyl 2-(3-oxo-1H-indazol-2-yl)-3-phenylpropanoate
CID 134085790
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one
CID 143697713
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
2-anilino-1H-indazol-3-one
CID 3409488
1,4-dioxo-3H-phthalazine-2-carbothioamide
CID 10104913
3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 47475418
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 670685

Frequently Asked Questions

What is the IUPAC name of 2-propanoyl-1H-indazol-3-one?
The IUPAC name of 2-propanoyl-1H-indazol-3-one (CID 14947978) is 2-propanoyl-1H-indazol-3-one.
What is the SMILES notation for 2-propanoyl-1H-indazol-3-one?
The canonical SMILES for 2-propanoyl-1H-indazol-3-one is CCC(=O)n1[nH]c2ccccc2c1=O.
What is the InChIKey of 2-propanoyl-1H-indazol-3-one?
The InChIKey is COVXAHHGZBYIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11-12/h3-6,11H,2H2,1H3.
What are the key properties of 2-propanoyl-1H-indazol-3-one?
2-propanoyl-1H-indazol-3-one has a molecular weight of 190.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyl-1H-indazol-3-one is sourced from PubChem (CID 14947978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).