2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one

C13H16N2O — CID 143152087

IUPAC2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one
SMILESC/C=C(\C)Cn1c2ccccc2c(=O)n1C
InChIInChI=1S/C13H16N2O/c1-4-10(2)9-15-12-8-6-5-7-11(12)13(16)14(15)3/h4-8H,9H2,1-3H3/b10-4+
InChIKeyZUXWDPHYDGTFHG-ONNFQVAWSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one

2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one (PubChem CID 143152087) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one.

Molecular Properties

Compound Name2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one
PubChem CID143152087
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one
SMILESC/C=C(\C)Cn1c2ccccc2c(=O)n1C
InChIInChI=1S/C13H16N2O/c1-4-10(2)9-15-12-8-6-5-7-11(12)13(16)14(15)3/h4-8H,9H2,1-3H3/b10-4+
InChIKeyZUXWDPHYDGTFHG-ONNFQVAWSA-N
XLogP2.31
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-methylindazol-3-one
CID 140854699
2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phthalazine-1,4-dione
CID 164623585
2-(3-methyl-1,4-dioxophthalazin-2-yl)-N-propan-2-ylacetamide
CID 126830642
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
2-[(4-hydroxyphenyl)methyl]-1-propylindazol-3-one
CID 176906742
1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)-2-methylindazol-3-one
CID 167744833
1,3-dimethyl-2-selanylidenequinazolin-4-one
CID 102491232
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
1-amino-3-methylquinazoline-2,4-dione
CID 14937715
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
CID 19776662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one?
The IUPAC name of 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one (CID 143152087) is 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one.
What is the SMILES notation for 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one?
The canonical SMILES for 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one is C/C=C(\C)Cn1c2ccccc2c(=O)n1C.
What is the InChIKey of 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one?
The InChIKey is ZUXWDPHYDGTFHG-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-10(2)9-15-12-8-6-5-7-11(12)13(16)14(15)3/h4-8H,9H2,1-3H3/b10-4+.
What are the key properties of 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one?
2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one has a molecular weight of 216.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one is sourced from PubChem (CID 143152087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).