ethyl 4-nitroso-3-phenylpentanoate

C13H17NO3 — CID 91897581

IUPACethyl 4-nitroso-3-phenylpentanoate
SMILESCCOC(=O)CC(c1ccccc1)C(C)N=O
InChIInChI=1S/C13H17NO3/c1-3-17-13(15)9-12(10(2)14-16)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyZFNVLHCLZAHKKO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.88
Rot. Bonds6

About ethyl 4-nitroso-3-phenylpentanoate

ethyl 4-nitroso-3-phenylpentanoate (PubChem CID 91897581) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 4-nitroso-3-phenylpentanoate.

Molecular Properties

Compound Nameethyl 4-nitroso-3-phenylpentanoate
PubChem CID91897581
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 4-nitroso-3-phenylpentanoate
SMILESCCOC(=O)CC(c1ccccc1)C(C)N=O
InChIInChI=1S/C13H17NO3/c1-3-17-13(15)9-12(10(2)14-16)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeyZFNVLHCLZAHKKO-UHFFFAOYSA-N
XLogP2.88
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-oxo-3,4,5-triphenylpentanoate
CID 13074227
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
1-O,1-O-diethyl 3-O-methyl (2R)-2-phenylpropane-1,1,3-tricarboxylate
CID 102323443
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 4-cyano-4-(4-methoxyphenyl)-3-phenylbutanoate
CID 12835005
diethyl 2-[(1S)-3-oxo-1-phenylbutyl]propanedioate
CID 11771185
ethyl 3-(benzhydrylamino)-4-methylpentanoate
CID 23067229
ethyl 4-benzylsulfonyl-3,4-diphenylbutanoate
CID 134086913
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl (2R,3R)-2-hydroxy-5-oxo-3-phenylhexanoate
CID 166438307
1-O-ethyl 5-O-propan-2-yl 2-(benzhydrylideneamino)-3-phenylpentanedioate
CID 11465269
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272

Frequently Asked Questions

What is the IUPAC name of ethyl 4-nitroso-3-phenylpentanoate?
The IUPAC name of ethyl 4-nitroso-3-phenylpentanoate (CID 91897581) is ethyl 4-nitroso-3-phenylpentanoate.
What is the SMILES notation for ethyl 4-nitroso-3-phenylpentanoate?
The canonical SMILES for ethyl 4-nitroso-3-phenylpentanoate is CCOC(=O)CC(c1ccccc1)C(C)N=O.
What is the InChIKey of ethyl 4-nitroso-3-phenylpentanoate?
The InChIKey is ZFNVLHCLZAHKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(15)9-12(10(2)14-16)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of ethyl 4-nitroso-3-phenylpentanoate?
ethyl 4-nitroso-3-phenylpentanoate has a molecular weight of 235.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-nitroso-3-phenylpentanoate is sourced from PubChem (CID 91897581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).