2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one

C10H16N4O — CID 130680238

IUPAC2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(C)(C)C2CCC2)n1
InChIInChI=1S/C10H16N4O/c1-10(2,7-5-4-6-7)8(15)9-11-13-14(3)12-9/h7H,4-6H2,1-3H3
InChIKeyZUSDOZABWAFKJA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds3

About 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one

2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 130680238) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID130680238
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCn1nnc(C(=O)C(C)(C)C2CCC2)n1
InChIInChI=1S/C10H16N4O/c1-10(2,7-5-4-6-7)8(15)9-11-13-14(3)12-9/h7H,4-6H2,1-3H3
InChIKeyZUSDOZABWAFKJA-UHFFFAOYSA-N
XLogP1.22
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047092
4,4-Dimethyl-5-(2-methyltetrazol-5-yl)pentan-2-one
CID 107054816
4,6,6-Trimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107063225
4,5,5-Trimethyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063279
2-(2-Methyltetrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 107063347
4-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063359
3-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063383
3-Ethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107063407
1-(2-Methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
1-Cyclobutyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063573
1-[1-(2-Methylpropyl)cyclopentyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 113912015
Cyclopentyl-(2-methyltetrazol-5-yl)methanone
CID 127004795

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one (CID 130680238) is 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one is Cn1nnc(C(=O)C(C)(C)C2CCC2)n1.
What is the InChIKey of 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is ZUSDOZABWAFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,7-5-4-6-7)8(15)9-11-13-14(3)12-9/h7H,4-6H2,1-3H3.
What are the key properties of 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one?
2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methyl-1-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 130680238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).