ethane;1-(1H-imidazol-5-yl)propan-1-one

C8H14N2O — CID 145105684

IUPACethane;1-(1H-imidazol-5-yl)propan-1-one
SMILESCC.CCC(=O)c1cnc[nH]1
InChIInChI=1S/C6H8N2O.C2H6/c1-2-6(9)5-3-7-4-8-5;1-2/h3-4H,2H2,1H3,(H,7,8);1-2H3
InChIKeyJCGXWURAGHIELL-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.03
Rot. Bonds2

About ethane;1-(1H-imidazol-5-yl)propan-1-one

ethane;1-(1H-imidazol-5-yl)propan-1-one (PubChem CID 145105684) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;1-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(1H-imidazol-5-yl)propan-1-one
PubChem CID145105684
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameethane;1-(1H-imidazol-5-yl)propan-1-one
SMILESCC.CCC(=O)c1cnc[nH]1
InChIInChI=1S/C6H8N2O.C2H6/c1-2-6(9)5-3-7-4-8-5;1-2/h3-4H,2H2,1H3,(H,7,8);1-2H3
InChIKeyJCGXWURAGHIELL-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-(1H-imidazol-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of ethane;1-(1H-imidazol-5-yl)propan-1-one (CID 145105684) is ethane;1-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for ethane;1-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for ethane;1-(1H-imidazol-5-yl)propan-1-one is CC.CCC(=O)c1cnc[nH]1.
What is the InChIKey of ethane;1-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is JCGXWURAGHIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-2-6(9)5-3-7-4-8-5;1-2/h3-4H,2H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;1-(1H-imidazol-5-yl)propan-1-one?
ethane;1-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 154.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 145105684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).