N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide

C10H15N3O — CID 3425821

IUPACN-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CC1
InChIInChI=1S/C10H15N3O/c14-10(9-2-3-9)12-4-1-6-13-7-5-11-8-13/h5,7-9H,1-4,6H2,(H,12,14)
InChIKeyGIUCTBSOLWHNRS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.80
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide

N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide (PubChem CID 3425821) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide
PubChem CID3425821
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide
SMILESO=C(NCCCn1ccnc1)C1CC1
InChIInChI=1S/C10H15N3O/c14-10(9-2-3-9)12-4-1-6-13-7-5-11-8-13/h5,7-9H,1-4,6H2,(H,12,14)
InChIKeyGIUCTBSOLWHNRS-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyrylimidazole
CID 643404
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-1-methylcyclopropanecarboxamide
CID 2970407
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 9614329
(3-(1H-Imidazol-1-yl)propyl)-2-cyano-3-(cyclopropylmethyl)guanidine
CID 44549360
N-butyl-1H-imidazole-1-carboxamide
CID 12394419
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide (CID 3425821) is N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide is O=C(NCCCn1ccnc1)C1CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide?
The InChIKey is GIUCTBSOLWHNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(9-2-3-9)12-4-1-6-13-7-5-11-8-13/h5,7-9H,1-4,6H2,(H,12,14).
What are the key properties of N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide?
N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 3425821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).