3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde

C9H13N3O2 — CID 57088398

IUPAC3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde
SMILESCN1CCOC(n2cncc2C=O)C1
InChIInChI=1S/C9H13N3O2/c1-11-2-3-14-9(5-11)12-7-10-4-8(12)6-13/h4,6-7,9H,2-3,5H2,1H3
InChIKeyAQETUIQJHQXHNN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.16
Rot. Bonds2

About 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde

3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde (PubChem CID 57088398) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde
PubChem CID57088398
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde
SMILESCN1CCOC(n2cncc2C=O)C1
InChIInChI=1S/C9H13N3O2/c1-11-2-3-14-9(5-11)12-7-10-4-8(12)6-13/h4,6-7,9H,2-3,5H2,1H3
InChIKeyAQETUIQJHQXHNN-UHFFFAOYSA-N
XLogP0.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-imidazole-5-carbaldehyde
CID 573592
ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate
CID 237336
1,2-dimethyl-1H-imidazole-5-carbaldehyde
CID 3159610
1-Methyl-1H-imidazole-4-carbaldehyde
CID 573419
1-Methyl-2-(propan-2-yl)-1H-imidazole-5-carbaldehyde
CID 17956783
tert-Butyl 4-formyl-1H-imidazole-1-carboxylate
CID 15480636
1-propyl-1H-imidazole-5-carbaldehyde
CID 10240870
4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide
CID 10397966
1-ethyl-1H-imidazole-5-carbaldehyde
CID 3159672
2-bromo-1-methyl-1H-imidazole-5-carbaldehyde
CID 12742277
1-Ethyl-1H-imidazole-4-carbaldehyde
CID 13509872
1-(propan-2-yl)-1H-imidazole-4-carbaldehyde
CID 15339512

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde?
The IUPAC name of 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde (CID 57088398) is 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde is CN1CCOC(n2cncc2C=O)C1.
What is the InChIKey of 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde?
The InChIKey is AQETUIQJHQXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-2-3-14-9(5-11)12-7-10-4-8(12)6-13/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde?
3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-2-yl)imidazole-4-carbaldehyde is sourced from PubChem (CID 57088398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).