N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide

C9H13N3O — CID 115629259

IUPACN-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O/c1-2-3-4-5-11-9(13)8-6-10-7-12-8/h2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13)/b3-2+
InChIKeyAFMJAGARMGBGTJ-NSCUHMNNSA-N
MW179.22 g/mol
LogP1.11
Rot. Bonds4

About N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide

N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide (PubChem CID 115629259) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
PubChem CID115629259
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O/c1-2-3-4-5-11-9(13)8-6-10-7-12-8/h2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13)/b3-2+
InChIKeyAFMJAGARMGBGTJ-NSCUHMNNSA-N
XLogP1.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
CID 104626323
N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
CID 115703669
N-[(E)-pent-3-enyl]-2H-triazole-4-carboxamide
CID 115628382
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide (CID 115629259) is N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide is C/C=C/CCNC(=O)c1cnc[nH]1.
What is the InChIKey of N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide?
The InChIKey is AFMJAGARMGBGTJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-3-4-5-11-9(13)8-6-10-7-12-8/h2-3,6-7H,4-5H2,1H3,(H,10,12)(H,11,13)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide?
N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 115629259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).