[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate

C10H15NO4 — CID 122455766

IUPAC[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate
SMILESCOC(=O)/C=C/OC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO4/c1-14-9(12)5-8-15-10(13)11-6-3-2-4-7-11/h5,8H,2-4,6-7H2,1H3/b8-5+
InChIKeyCVOZJPUQVGSKQM-VMPITWQZSA-N
MW213.23 g/mol
LogP1.30
Rot. Bonds2

About [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate

[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate (PubChem CID 122455766) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate
PubChem CID122455766
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate
SMILESCOC(=O)/C=C/OC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO4/c1-14-9(12)5-8-15-10(13)11-6-3-2-4-7-11/h5,8H,2-4,6-7H2,1H3/b8-5+
InChIKeyCVOZJPUQVGSKQM-VMPITWQZSA-N
XLogP1.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 123683302
CID 123683302
[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl] pyrrolidine-1-carboxylate
CID 118095664
methyl (E)-3-methoxycarbonyloxyprop-2-enoate
CID 20657005
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
4-O-[(2S)-2-hydroxy-3-oxo-3-piperidin-1-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 122664242
methyl (Z)-4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
CID 24976325
methyl 4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
CID 71338982
methyl (E)-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]prop-2-enoate
CID 103263221
methyl (E)-4,4,4-trifluoro-3-piperidin-1-ylbut-2-enoate
CID 134848242
piperidine-1-carboperoxoic acid
CID 18434275
4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate?
The IUPAC name of [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate (CID 122455766) is [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate.
What is the SMILES notation for [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate?
The canonical SMILES for [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate is COC(=O)/C=C/OC(=O)N1CCCCC1.
What is the InChIKey of [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate?
The InChIKey is CVOZJPUQVGSKQM-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-9(12)5-8-15-10(13)11-6-3-2-4-7-11/h5,8H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate?
[(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methoxy-3-oxoprop-1-enyl] piperidine-1-carboxylate is sourced from PubChem (CID 122455766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).