2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde

C7H10N2O2 — CID 82416667

IUPAC2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
SMILESCC(C)n1c(C=O)c[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-5(2)9-6(4-10)3-8-7(9)11/h3-5H,1-2H3,(H,8,11)
InChIKeyPRRTVAUVTOMLKS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.57
Rot. Bonds2

About 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde

2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde (PubChem CID 82416667) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
PubChem CID82416667
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
SMILESCC(C)n1c(C=O)c[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-5(2)9-6(4-10)3-8-7(9)11/h3-5H,1-2H3,(H,8,11)
InChIKeyPRRTVAUVTOMLKS-UHFFFAOYSA-N
XLogP0.57
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 2724951
3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
CID 57189768
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274
3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde
CID 82401235
3-propan-2-yl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82412406
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418256
2-(5-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418270

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde (CID 82416667) is 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde is CC(C)n1c(C=O)c[nH]c1=O.
What is the InChIKey of 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde?
The InChIKey is PRRTVAUVTOMLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2)9-6(4-10)3-8-7(9)11/h3-5H,1-2H3,(H,8,11).
What are the key properties of 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde?
2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 82416667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).