3-(2-methylcyclobutyl)imidazole-4-carbaldehyde

C9H12N2O — CID 130556530

IUPAC3-(2-methylcyclobutyl)imidazole-4-carbaldehyde
SMILESCC1CCC1n1cncc1C=O
InChIInChI=1S/C9H12N2O/c1-7-2-3-9(7)11-6-10-4-8(11)5-12/h4-7,9H,2-3H2,1H3
InChIKeyNFJMHYOXEHMYOC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.67
Rot. Bonds2

About 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde

3-(2-methylcyclobutyl)imidazole-4-carbaldehyde (PubChem CID 130556530) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylcyclobutyl)imidazole-4-carbaldehyde
PubChem CID130556530
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(2-methylcyclobutyl)imidazole-4-carbaldehyde
SMILESCC1CCC1n1cncc1C=O
InChIInChI=1S/C9H12N2O/c1-7-2-3-9(7)11-6-10-4-8(11)5-12/h4-7,9H,2-3H2,1H3
InChIKeyNFJMHYOXEHMYOC-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazole-4-carbaldehyde
CID 18635613
3-(3,5-dimethylcyclohexyl)imidazole-4-carbaldehyde
CID 66146176
3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazole-4-carbaldehyde
CID 80733239
3-(2,2-dimethylcyclopropyl)imidazole-4-carbaldehyde
CID 66147005
3-(oxan-4-yl)imidazole-4-carbaldehyde
CID 66148453
N-[[3-(2-methylcyclopentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151196
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
N-[[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66150600
2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151641
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
3-(3-cyclopropylimidazol-4-yl)-2-methylprop-2-enoic acid
CID 79726247
N-methyl-1-[3-(2-methylcyclohexyl)imidazol-4-yl]methanamine
CID 66147759

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde (CID 130556530) is 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde is CC1CCC1n1cncc1C=O.
What is the InChIKey of 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde?
The InChIKey is NFJMHYOXEHMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-2-3-9(7)11-6-10-4-8(11)5-12/h4-7,9H,2-3H2,1H3.
What are the key properties of 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde?
3-(2-methylcyclobutyl)imidazole-4-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclobutyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 130556530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).