methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate

C10H17NO2 — CID 13474780

IUPACmethyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C1C=CCCC1
InChIInChI=1S/C10H17NO2/c1-11(8-10(12)13-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyJLVMZYOWGDUSJM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate

methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate (PubChem CID 13474780) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate
PubChem CID13474780
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C1C=CCCC1
InChIInChI=1S/C10H17NO2/c1-11(8-10(12)13-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyJLVMZYOWGDUSJM-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)acetate bromide
CID 13153024
Methyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 11126688
Methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)acetate
CID 3143105
methyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)acetate bromide
CID 15311393
Methyl 2-[cyclohex-2-en-1-yl(methoxycarbonyl)amino]acetate
CID 139233977
Methyl 2-[acetyl(cyclohex-2-en-1-yl)amino]acetate
CID 139233979
Ethyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 13474771
Methyl 1-ethyl-1,2,5,6-tetrahydropyridinecarboxylate
CID 21849994
methyl 1-methyl-3,6-dihydro-2H-pyridine-6-carboxylate
CID 53738394
methyl 2-(3,6-dihydro-2H-pyridin-1-yl)acetate
CID 89923851
methyl 2-[dodecyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]acetate
CID 129286370
methyl 1-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 143881250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate?
The IUPAC name of methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate (CID 13474780) is methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate is COC(=O)CN(C)C1C=CCCC1.
What is the InChIKey of methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate?
The InChIKey is JLVMZYOWGDUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(8-10(12)13-2)9-6-4-3-5-7-9/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate?
methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate is sourced from PubChem (CID 13474780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).