methyl 5-(2-formylimidazol-1-yl)pentanoate

C10H14N2O3 — CID 162640677

IUPACmethyl 5-(2-formylimidazol-1-yl)pentanoate
SMILESCOC(=O)CCCCn1ccnc1C=O
InChIInChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-6-12-7-5-11-9(12)8-13/h5,7-8H,2-4,6H2,1H3
InChIKeyFZZXXEHBYGALAS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.04
Rot. Bonds6

About methyl 5-(2-formylimidazol-1-yl)pentanoate

methyl 5-(2-formylimidazol-1-yl)pentanoate (PubChem CID 162640677) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 5-(2-formylimidazol-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-formylimidazol-1-yl)pentanoate
PubChem CID162640677
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 5-(2-formylimidazol-1-yl)pentanoate
SMILESCOC(=O)CCCCn1ccnc1C=O
InChIInChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-6-12-7-5-11-9(12)8-13/h5,7-8H,2-4,6H2,1H3
InChIKeyFZZXXEHBYGALAS-UHFFFAOYSA-N
XLogP1.04
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.04
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'}

Analyze methyl 5-(2-formylimidazol-1-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
Methyl 5-(2-(chloromethyl)-1H-imidazol-1-yl)pentanoate
CID 162640698
Methyl 5-(2-(hydroxymethyl)-1H-imidazol-1-yl)pentanoate
CID 162640702
1-Butyl-1H-imidazole-2-carbaldehyde
CID 4777639
Ethyl 5-imidazol-1-ylpentanoate
CID 12803309
trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377626
5-(2-Ethyl-1h-imidazol-1-yl) pentanoic acid
CID 61347134
Methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate
CID 138980886
5-(1-(2-Methoxyethyl) imidazol-3-io)-pentanoate
CID 166449978
Methyl 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 60314004

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-formylimidazol-1-yl)pentanoate?
The IUPAC name of methyl 5-(2-formylimidazol-1-yl)pentanoate (CID 162640677) is methyl 5-(2-formylimidazol-1-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-formylimidazol-1-yl)pentanoate?
The canonical SMILES for methyl 5-(2-formylimidazol-1-yl)pentanoate is COC(=O)CCCCn1ccnc1C=O.
What is the InChIKey of methyl 5-(2-formylimidazol-1-yl)pentanoate?
The InChIKey is FZZXXEHBYGALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-10(14)4-2-3-6-12-7-5-11-9(12)8-13/h5,7-8H,2-4,6H2,1H3.
What are the key properties of methyl 5-(2-formylimidazol-1-yl)pentanoate?
methyl 5-(2-formylimidazol-1-yl)pentanoate has a molecular weight of 210.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-formylimidazol-1-yl)pentanoate is sourced from PubChem (CID 162640677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).