[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate

C15H19NO4 — CID 11150092

IUPAC[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
SMILESCOC(=O)OC(/C=C/c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C15H19NO4/c1-16(2)14(17)11-13(20-15(18)19-3)10-9-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3/b10-9+
InChIKeyUEBKDWYABUJSDG-MDZDMXLPSA-N
MW277.32 g/mol
LogP2.33
Rot. Bonds5

About [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate

[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate (PubChem CID 11150092) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
PubChem CID11150092
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate
SMILESCOC(=O)OC(/C=C/c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C15H19NO4/c1-16(2)14(17)11-13(20-15(18)19-3)10-9-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3/b10-9+
InChIKeyUEBKDWYABUJSDG-MDZDMXLPSA-N
XLogP2.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl [(E)-4-phenyl-1-(S-phenyl-N-trimethylsilylsulfonimidoyl)but-3-en-2-yl] carbonate
CID 134879537
[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
CID 71682922
[(E,3R)-5-oxo-1-phenylpent-1-en-3-yl] acetate
CID 54768294
methyl (E)-3,5-diphenylpent-4-enoate
CID 15893254
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
ethyl 5-phenyl-3-triethylstannyloxypent-4-enoate
CID 71320891
3-methoxypent-1-enylbenzene
CID 71364960
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
methyl (3R,5S)-3,5-dihydroxy-7-phenylhept-6-enoate
CID 54384932
[(E,3R)-5-oxo-1-phenyldec-1-en-3-yl] benzoate
CID 165413328
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate?
The IUPAC name of [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate (CID 11150092) is [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate.
What is the SMILES notation for [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate?
The canonical SMILES for [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate is COC(=O)OC(/C=C/c1ccccc1)CC(=O)N(C)C.
What is the InChIKey of [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate?
The InChIKey is UEBKDWYABUJSDG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(2)14(17)11-13(20-15(18)19-3)10-9-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3/b10-9+.
What are the key properties of [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate?
[(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate has a molecular weight of 277.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl] methyl carbonate is sourced from PubChem (CID 11150092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).