methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate

C11H15NO2 — CID 163909567

IUPACmethyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)C1CC=CC=C1C
InChIInChI=1S/C11H15NO2/c1-8-6-4-5-7-9(8)10(12-2)11(13)14-3/h4-6,9H,7H2,1-3H3/b12-10-
InChIKeyQQXRHYYVPURNFQ-BENRWUELSA-N
MW193.25 g/mol
LogP1.75
Rot. Bonds2

About methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate

methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate (PubChem CID 163909567) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate.

Molecular Properties

Compound Namemethyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate
PubChem CID163909567
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)C1CC=CC=C1C
InChIInChI=1S/C11H15NO2/c1-8-6-4-5-7-9(8)10(12-2)11(13)14-3/h4-6,9H,7H2,1-3H3/b12-10-
InChIKeyQQXRHYYVPURNFQ-BENRWUELSA-N
XLogP1.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate?
The IUPAC name of methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate (CID 163909567) is methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate.
What is the SMILES notation for methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate?
The canonical SMILES for methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate is C/N=C(\C(=O)OC)C1CC=CC=C1C.
What is the InChIKey of methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate?
The InChIKey is QQXRHYYVPURNFQ-BENRWUELSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-6-4-5-7-9(8)10(12-2)11(13)14-3/h4-6,9H,7H2,1-3H3/b12-10-.
What are the key properties of methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate?
methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate has a molecular weight of 193.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylcyclohexa-2,4-dien-1-yl)-2-methyliminoacetate is sourced from PubChem (CID 163909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).