1-(4-acetyl-1H-imidazol-5-yl)propan-2-one

C8H10N2O2 — CID 20621275

IUPAC1-(4-acetyl-1H-imidazol-5-yl)propan-2-one
SMILESCC(=O)Cc1[nH]cnc1C(C)=O
InChIInChI=1S/C8H10N2O2/c1-5(11)3-7-8(6(2)12)10-4-9-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyPAICWNQHSJRODD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.74
Rot. Bonds3

About 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one

1-(4-acetyl-1H-imidazol-5-yl)propan-2-one (PubChem CID 20621275) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-acetyl-1H-imidazol-5-yl)propan-2-one
PubChem CID20621275
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(4-acetyl-1H-imidazol-5-yl)propan-2-one
SMILESCC(=O)Cc1[nH]cnc1C(C)=O
InChIInChI=1S/C8H10N2O2/c1-5(11)3-7-8(6(2)12)10-4-9-7/h4H,3H2,1-2H3,(H,9,10)
InChIKeyPAICWNQHSJRODD-UHFFFAOYSA-N
XLogP0.74
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one?
The IUPAC name of 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one (CID 20621275) is 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one?
The canonical SMILES for 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one is CC(=O)Cc1[nH]cnc1C(C)=O.
What is the InChIKey of 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one?
The InChIKey is PAICWNQHSJRODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)3-7-8(6(2)12)10-4-9-7/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one?
1-(4-acetyl-1H-imidazol-5-yl)propan-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1H-imidazol-5-yl)propan-2-one is sourced from PubChem (CID 20621275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).