2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde

C7H8N2O — CID 19593166

IUPAC2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1CC1c1cnc[nH]1
InChIInChI=1S/C7H8N2O/c10-3-5-1-6(5)7-2-8-4-9-7/h2-6H,1H2,(H,8,9)
InChIKeyXOUJCSCPDBINFL-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.71
Rot. Bonds2

About 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde

2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde (PubChem CID 19593166) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
PubChem CID19593166
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1CC1c1cnc[nH]1
InChIInChI=1S/C7H8N2O/c10-3-5-1-6(5)7-2-8-4-9-7/h2-6H,1H2,(H,8,9)
InChIKeyXOUJCSCPDBINFL-UHFFFAOYSA-N
XLogP0.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
2-(1H-imidazol-5-yl)cyclopropane-1-sulfonamide
CID 19031519
5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
CID 91700479
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027
5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
CID 143109546
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
CID 10240978
N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]-N-(3-phenylpropyl)formamide
CID 18395370
5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
CID 91362037
5-(2-ethylpyrrolidin-3-yl)-1H-imidazole
CID 86170583
5-(5-thiatricyclo[6.1.1.02,6]deca-2(6),3-dien-9-yl)-1H-imidazole
CID 149116011
2-(1H-imidazol-5-yl)imidazolidin-4-one
CID 130626226
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde (CID 19593166) is 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde is O=CC1CC1c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde?
The InChIKey is XOUJCSCPDBINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-3-5-1-6(5)7-2-8-4-9-7/h2-6H,1H2,(H,8,9).
What are the key properties of 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde?
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 19593166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).