methyl 5-hydroxyimino-5-phenylpentanoate

C12H15NO3 — CID 85308138

IUPACmethyl 5-hydroxyimino-5-phenylpentanoate
SMILESCOC(=O)CCCC(=NO)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(14)9-5-8-11(13-15)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKeyJMCQUGNTGWUYMV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.21
Rot. Bonds5

About methyl 5-hydroxyimino-5-phenylpentanoate

methyl 5-hydroxyimino-5-phenylpentanoate (PubChem CID 85308138) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 5-hydroxyimino-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxyimino-5-phenylpentanoate
PubChem CID85308138
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 5-hydroxyimino-5-phenylpentanoate
SMILESCOC(=O)CCCC(=NO)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(14)9-5-8-11(13-15)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKeyJMCQUGNTGWUYMV-UHFFFAOYSA-N
XLogP2.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
methyl 5-[methyl(sulfinooxy)hydrazinylidene]-5-phenylpentanoate
CID 174763491
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
methyl 4-benzamidobutanoate
CID 13197711
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
diphenyltin;bis(5-methoxy-5-oxopentanoic acid)
CID 11706767
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxyimino-5-phenylpentanoate?
The IUPAC name of methyl 5-hydroxyimino-5-phenylpentanoate (CID 85308138) is methyl 5-hydroxyimino-5-phenylpentanoate.
What is the SMILES notation for methyl 5-hydroxyimino-5-phenylpentanoate?
The canonical SMILES for methyl 5-hydroxyimino-5-phenylpentanoate is COC(=O)CCCC(=NO)c1ccccc1.
What is the InChIKey of methyl 5-hydroxyimino-5-phenylpentanoate?
The InChIKey is JMCQUGNTGWUYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(14)9-5-8-11(13-15)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3.
What are the key properties of methyl 5-hydroxyimino-5-phenylpentanoate?
methyl 5-hydroxyimino-5-phenylpentanoate has a molecular weight of 221.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxyimino-5-phenylpentanoate is sourced from PubChem (CID 85308138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).