ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one

C13H24N2O2 — CID 143876657

IUPACethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one
SMILESCC.CCC(CC(C)c1cnc[nH]1)C(=O)CO
InChIInChI=1S/C11H18N2O2.C2H6/c1-3-9(11(15)6-14)4-8(2)10-5-12-7-13-10;1-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,13);1-2H3
InChIKeyBENYKBRNBDZRRD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.52
Rot. Bonds6

About ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one

ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one (PubChem CID 143876657) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one
PubChem CID143876657
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one
SMILESCC.CCC(CC(C)c1cnc[nH]1)C(=O)CO
InChIInChI=1S/C11H18N2O2.C2H6/c1-3-9(11(15)6-14)4-8(2)10-5-12-7-13-10;1-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,13);1-2H3
InChIKeyBENYKBRNBDZRRD-UHFFFAOYSA-N
XLogP2.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
3-(1H-imidazol-5-yl)butylphosphonic acid
CID 132937842
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
1-(1H-imidazol-5-yl)ethane-1,2-diol
CID 54365092
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
4-(1H-imidazol-5-ylmethyl)-2,2-dimethylhexan-3-one
CID 59395904
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide
CID 57004124

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one?
The IUPAC name of ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one (CID 143876657) is ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one.
What is the SMILES notation for ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one?
The canonical SMILES for ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one is CC.CCC(CC(C)c1cnc[nH]1)C(=O)CO.
What is the InChIKey of ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one?
The InChIKey is BENYKBRNBDZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6/c1-3-9(11(15)6-14)4-8(2)10-5-12-7-13-10;1-2/h5,7-9,14H,3-4,6H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one?
ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-hydroxy-5-(1H-imidazol-5-yl)hexan-2-one is sourced from PubChem (CID 143876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).