(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium

C10H12NO3+ — CID 170760992

IUPAC(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium
SMILESCCc1ccc([NH+]=O)cc1C(=O)OC
InChIInChI=1S/C10H11NO3/c1-3-7-4-5-8(11-13)6-9(7)10(12)14-2/h4-6H,3H2,1-2H3/p+1
InChIKeyCEUICAZWTLHRNZ-UHFFFAOYSA-O
MW194.21 g/mol
LogP0.51
Rot. Bonds3

About (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium

(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium (PubChem CID 170760992) has the molecular formula C10H12NO3+ and a molecular weight of 194.21 g/mol. Its IUPAC name is (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium.

Molecular Properties

Compound Name(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium
PubChem CID170760992
Molecular FormulaC10H12NO3+
Molecular Weight194.21 g/mol
Exact Mass194.08
IUPAC Name(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium
SMILESCCc1ccc([NH+]=O)cc1C(=O)OC
InChIInChI=1S/C10H11NO3/c1-3-7-4-5-8(11-13)6-9(7)10(12)14-2/h4-6H,3H2,1-2H3/p+1
InChIKeyCEUICAZWTLHRNZ-UHFFFAOYSA-O
XLogP0.51
TPSA57.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
methyl 2-ethyl-5-nitrobenzoate
CID 54220219
ethane;methyl 2,5-bis(bromomethyl)benzoate
CID 144791085
methyl 2-(bromomethyl)-5-hydroxybenzoate
CID 70312474
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
methyl 5-(4-cyanophenyl)sulfanyl-2-ethylbenzoate
CID 91878501
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 5-methyl-2-[6-(methylamino)hexyl]benzoate
CID 154969812
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium?
The IUPAC name of (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium (CID 170760992) is (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium.
What is the SMILES notation for (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium?
The canonical SMILES for (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium is CCc1ccc([NH+]=O)cc1C(=O)OC.
What is the InChIKey of (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium?
The InChIKey is CEUICAZWTLHRNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11NO3/c1-3-7-4-5-8(11-13)6-9(7)10(12)14-2/h4-6H,3H2,1-2H3/p+1.
What are the key properties of (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium?
(4-ethyl-3-methoxycarbonylphenyl)-oxoazanium has a molecular weight of 194.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methoxycarbonylphenyl)-oxoazanium is sourced from PubChem (CID 170760992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).