1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde

C8H12N2O3 — CID 23079305

IUPAC1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
SMILESCOCOCCn1ccnc1C=O
InChIInChI=1S/C8H12N2O3/c1-12-7-13-5-4-10-3-2-9-8(10)6-11/h2-3,6H,4-5,7H2,1H3
InChIKeyRAMMCEVYWJNTLL-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.32
Rot. Bonds6

About 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde

1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde (PubChem CID 23079305) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
PubChem CID23079305
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
SMILESCOCOCCn1ccnc1C=O
InChIInChI=1S/C8H12N2O3/c1-12-7-13-5-4-10-3-2-9-8(10)6-11/h2-3,6H,4-5,7H2,1H3
InChIKeyRAMMCEVYWJNTLL-UHFFFAOYSA-N
XLogP0.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde (CID 23079305) is 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde is COCOCCn1ccnc1C=O.
What is the InChIKey of 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde?
The InChIKey is RAMMCEVYWJNTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-12-7-13-5-4-10-3-2-9-8(10)6-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde?
1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde has a molecular weight of 184.19 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 23079305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).