(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium

C13H18NO+ — CID 153361932

IUPAC(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium
SMILESC=Cc1c(OC)ccc(CC)c1[N+](=C)C
InChIInChI=1S/C13H18NO/c1-6-10-8-9-12(15-5)11(7-2)13(10)14(3)4/h7-9H,2-3,6H2,1,4-5H3/q+1
InChIKeyAEWZZCCUEOUMLR-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.88
Rot. Bonds4

About (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium

(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium (PubChem CID 153361932) has the molecular formula C13H18NO+ and a molecular weight of 204.29 g/mol. Its IUPAC name is (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium
PubChem CID153361932
Molecular FormulaC13H18NO+
Molecular Weight204.29 g/mol
Exact Mass204.14
IUPAC Name(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium
SMILESC=Cc1c(OC)ccc(CC)c1[N+](=C)C
InChIInChI=1S/C13H18NO/c1-6-10-8-9-12(15-5)11(7-2)13(10)14(3)4/h7-9H,2-3,6H2,1,4-5H3/q+1
InChIKeyAEWZZCCUEOUMLR-UHFFFAOYSA-N
XLogP2.88
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium?
The IUPAC name of (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium (CID 153361932) is (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium.
What is the SMILES notation for (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium?
The canonical SMILES for (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium is C=Cc1c(OC)ccc(CC)c1[N+](=C)C.
What is the InChIKey of (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium?
The InChIKey is AEWZZCCUEOUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO/c1-6-10-8-9-12(15-5)11(7-2)13(10)14(3)4/h7-9H,2-3,6H2,1,4-5H3/q+1.
What are the key properties of (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium?
(2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium has a molecular weight of 204.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-6-ethyl-3-methoxyphenyl)-methyl-methylideneazanium is sourced from PubChem (CID 153361932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).