1-imidazol-1-yl-6-methylhept-5-en-1-one

C11H16N2O — CID 164676310

IUPAC1-imidazol-1-yl-6-methylhept-5-en-1-one
SMILESCC(C)=CCCCC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O/c1-10(2)5-3-4-6-11(14)13-8-7-12-9-13/h5,7-9H,3-4,6H2,1-2H3
InChIKeyDHMCJHPKSOIKPY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds4

About 1-imidazol-1-yl-6-methylhept-5-en-1-one

1-imidazol-1-yl-6-methylhept-5-en-1-one (PubChem CID 164676310) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-imidazol-1-yl-6-methylhept-5-en-1-one.

Molecular Properties

Compound Name1-imidazol-1-yl-6-methylhept-5-en-1-one
PubChem CID164676310
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-imidazol-1-yl-6-methylhept-5-en-1-one
SMILESCC(C)=CCCCC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O/c1-10(2)5-3-4-6-11(14)13-8-7-12-9-13/h5,7-9H,3-4,6H2,1-2H3
InChIKeyDHMCJHPKSOIKPY-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 14413796
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
4-bromo-1-imidazol-1-ylbutan-1-one
CID 71394827
1-imidazol-1-yl-6-methoxyhexan-1-one
CID 58939130
1-imidazol-1-yl-3-methylsulfanylpropan-1-one
CID 22096765
1-imidazol-1-ylicosane-1,4-dione
CID 59547612
1-imidazol-1-ylbut-3-en-1-one
CID 67206751
4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide
CID 58661279
tert-butyl N-[(3S)-6-imidazol-1-yl-2,6-dioxohexan-3-yl]carbamate
CID 162057362
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
5-(3H-dithiol-3-yl)-1-imidazol-1-ylpentan-1-one
CID 140991685
buta-1,3-diene;ethane;1-imidazol-1-ylethanone
CID 143773294

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-6-methylhept-5-en-1-one?
The IUPAC name of 1-imidazol-1-yl-6-methylhept-5-en-1-one (CID 164676310) is 1-imidazol-1-yl-6-methylhept-5-en-1-one.
What is the SMILES notation for 1-imidazol-1-yl-6-methylhept-5-en-1-one?
The canonical SMILES for 1-imidazol-1-yl-6-methylhept-5-en-1-one is CC(C)=CCCCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-6-methylhept-5-en-1-one?
The InChIKey is DHMCJHPKSOIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(2)5-3-4-6-11(14)13-8-7-12-9-13/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-6-methylhept-5-en-1-one?
1-imidazol-1-yl-6-methylhept-5-en-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-6-methylhept-5-en-1-one is sourced from PubChem (CID 164676310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).