methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate

C11H17NO3 — CID 43408814

IUPACmethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-12(8-10(13)15-2)11(14)9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3
InChIKeyKDIWWLWQKKNEEA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate

methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate (PubChem CID 43408814) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate
PubChem CID43408814
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)C1CC=CCC1
InChIInChI=1S/C11H17NO3/c1-12(8-10(13)15-2)11(14)9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3
InChIKeyKDIWWLWQKKNEEA-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate (CID 43408814) is methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)C1CC=CCC1.
What is the InChIKey of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate?
The InChIKey is KDIWWLWQKKNEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(8-10(13)15-2)11(14)9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate?
methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 43408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).