ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one

C19H32N2O — CID 143964184

IUPACethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
SMILESC=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C.CC
InChIInChI=1S/C17H26N2O.C2H6/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6;1-2/h7-8,10H,2,9,11-12H2,1,3-6H3;1-2H3/b10-7-;
InChIKeyKCMGRBOICJILMC-VEZAGKLZSA-N
MW304.48 g/mol
LogP5.15
Rot. Bonds6

About ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one

ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one (PubChem CID 143964184) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Nameethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
PubChem CID143964184
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Nameethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one
SMILESC=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C.CC
InChIInChI=1S/C17H26N2O.C2H6/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6;1-2/h7-8,10H,2,9,11-12H2,1,3-6H3;1-2H3/b10-7-;
InChIKeyKCMGRBOICJILMC-VEZAGKLZSA-N
XLogP5.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The IUPAC name of ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one (CID 143964184) is ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one.
What is the SMILES notation for ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The canonical SMILES for ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one is C=Cc1c(/C=C\C)nc(CC)n1CC(=O)CC(C)(C)C.CC.
What is the InChIKey of ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
The InChIKey is KCMGRBOICJILMC-VEZAGKLZSA-N. The full InChI is InChI=1S/C17H26N2O.C2H6/c1-7-10-14-15(8-2)19(16(9-3)18-14)12-13(20)11-17(4,5)6;1-2/h7-8,10H,2,9,11-12H2,1,3-6H3;1-2H3/b10-7-;.
What are the key properties of ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one?
ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one has a molecular weight of 304.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-ethenyl-2-ethyl-4-[(Z)-prop-1-enyl]imidazol-1-yl]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 143964184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).