1-(1H-imidazol-5-yl)pent-4-en-1-one

C8H10N2O — CID 565715

IUPAC1-(1H-imidazol-5-yl)pent-4-en-1-one
SMILESC=CCCC(=O)c1cnc[nH]1
InChIInChI=1S/C8H10N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h2,5-6H,1,3-4H2,(H,9,10)
InChIKeyGOGZVBYIEJGHDL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.56
Rot. Bonds4

About 1-(1H-imidazol-5-yl)pent-4-en-1-one

1-(1H-imidazol-5-yl)pent-4-en-1-one (PubChem CID 565715) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)pent-4-en-1-one
PubChem CID565715
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(1H-imidazol-5-yl)pent-4-en-1-one
SMILESC=CCCC(=O)c1cnc[nH]1
InChIInChI=1S/C8H10N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h2,5-6H,1,3-4H2,(H,9,10)
InChIKeyGOGZVBYIEJGHDL-UHFFFAOYSA-N
XLogP1.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 146026723
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ethane;1-(1H-imidazol-5-yl)propan-1-one
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1-(1H-imidazol-5-yl)-4-methoxybutan-1-one
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3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22924958
5-buta-1,3-dien-2-yl-1H-imidazole
CID 121420097
(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
CID 169492699
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
CID 115629259
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
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5-[(E)-but-2-en-2-yl]-1H-imidazole
CID 15643146

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)pent-4-en-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)pent-4-en-1-one (CID 565715) is 1-(1H-imidazol-5-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)pent-4-en-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)pent-4-en-1-one is C=CCCC(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)pent-4-en-1-one?
The InChIKey is GOGZVBYIEJGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-3-4-8(11)7-5-9-6-10-7/h2,5-6H,1,3-4H2,(H,9,10).
What are the key properties of 1-(1H-imidazol-5-yl)pent-4-en-1-one?
1-(1H-imidazol-5-yl)pent-4-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)pent-4-en-1-one is sourced from PubChem (CID 565715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).