2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

C5H8N2O — CID 88971063

IUPAC2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESCC1NC=C(C=O)N1
InChIInChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2-4,6-7H,1H3
InChIKeyAYKVBQVBUVXHBH-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.43
Rot. Bonds1

About 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde (PubChem CID 88971063) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
PubChem CID88971063
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
SMILESCC1NC=C(C=O)N1
InChIInChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2-4,6-7H,1H3
InChIKeyAYKVBQVBUVXHBH-UHFFFAOYSA-N
XLogP-0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde (CID 88971063) is 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde is CC1NC=C(C=O)N1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
The InChIKey is AYKVBQVBUVXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2-4,6-7H,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde?
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde has a molecular weight of 112.13 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 88971063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).