6-(1H-imidazol-2-yl)-2-methylhex-2-enamide

C10H15N3O — CID 141126541

IUPAC6-(1H-imidazol-2-yl)-2-methylhex-2-enamide
SMILESCC(=CCCCc1ncc[nH]1)C(N)=O
InChIInChI=1S/C10H15N3O/c1-8(10(11)14)4-2-3-5-9-12-6-7-13-9/h4,6-7H,2-3,5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDBLBOHAKQVSWSX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds5

About 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide

6-(1H-imidazol-2-yl)-2-methylhex-2-enamide (PubChem CID 141126541) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-methylhex-2-enamide
PubChem CID141126541
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-(1H-imidazol-2-yl)-2-methylhex-2-enamide
SMILESCC(=CCCCc1ncc[nH]1)C(N)=O
InChIInChI=1S/C10H15N3O/c1-8(10(11)14)4-2-3-5-9-12-6-7-13-9/h4,6-7H,2-3,5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDBLBOHAKQVSWSX-UHFFFAOYSA-N
XLogP1.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-2-methylhex-2-enamide;2-ethenyl-1H-imidazole
CID 67763538
2-hexadecyl-1H-imidazole;urea
CID 174763574
ethyl 5-(1H-imidazol-2-yl)pentanoate
CID 173264973
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
2-decyl-1H-imidazole
CID 3089145
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-octyl-1H-imidazole
CID 18347297
2-methylhept-2-enamide;hydrate
CID 172812574
acetic acid;cobalt;bis(2-ethyl-1H-imidazole)
CID 5257802

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide (CID 141126541) is 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide is CC(=CCCCc1ncc[nH]1)C(N)=O.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide?
The InChIKey is DBLBOHAKQVSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(10(11)14)4-2-3-5-9-12-6-7-13-9/h4,6-7H,2-3,5H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide?
6-(1H-imidazol-2-yl)-2-methylhex-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-2-methylhex-2-enamide is sourced from PubChem (CID 141126541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).