methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium

C11H19N2O2+ — CID 163856263

IUPACmethoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium
SMILESCONC(=O)[N+](C)(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H18N2O2/c1-9-5-7-10(8-6-9)13(2,3)11(14)12-15-4/h5,7H,6,8H2,1-4H3/p+1
InChIKeyUYQXSXZQPXPZJB-UHFFFAOYSA-O
MW211.28 g/mol
LogP1.96
Rot. Bonds2

About methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium

methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium (PubChem CID 163856263) has the molecular formula C11H19N2O2+ and a molecular weight of 211.28 g/mol. Its IUPAC name is methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium.

Molecular Properties

Compound Namemethoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium
PubChem CID163856263
Molecular FormulaC11H19N2O2+
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Namemethoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium
SMILESCONC(=O)[N+](C)(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H18N2O2/c1-9-5-7-10(8-6-9)13(2,3)11(14)12-15-4/h5,7H,6,8H2,1-4H3/p+1
InChIKeyUYQXSXZQPXPZJB-UHFFFAOYSA-O
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium?
The IUPAC name of methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium (CID 163856263) is methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium.
What is the SMILES notation for methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium?
The canonical SMILES for methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium is CONC(=O)[N+](C)(C)C1=CC=C(C)CC1.
What is the InChIKey of methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium?
The InChIKey is UYQXSXZQPXPZJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2O2/c1-9-5-7-10(8-6-9)13(2,3)11(14)12-15-4/h5,7H,6,8H2,1-4H3/p+1.
What are the key properties of methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium?
methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium has a molecular weight of 211.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbamoyl-dimethyl-(4-methylcyclohexa-1,3-dien-1-yl)azanium is sourced from PubChem (CID 163856263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).