2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one

C11H18N2O — CID 90162063

IUPAC2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
SMILESCC(C)n1c2c(c(=O)n1C)CCCC2
InChIInChI=1S/C11H18N2O/c1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3/h8H,4-7H2,1-3H3
InChIKeyMKCVZHXFJHAQNN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one

2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one (PubChem CID 90162063) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
PubChem CID90162063
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one
SMILESCC(C)n1c2c(c(=O)n1C)CCCC2
InChIInChI=1S/C11H18N2O/c1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3/h8H,4-7H2,1-3H3
InChIKeyMKCVZHXFJHAQNN-UHFFFAOYSA-N
XLogP1.65
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The IUPAC name of 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one (CID 90162063) is 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one.
What is the SMILES notation for 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The canonical SMILES for 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one is CC(C)n1c2c(c(=O)n1C)CCCC2.
What is the InChIKey of 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
The InChIKey is MKCVZHXFJHAQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one?
2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one has a molecular weight of 194.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one is sourced from PubChem (CID 90162063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).