1-(4-ethanimidoyl-2-methoxyphenyl)ethanone

C11H13NO2 — CID 142132476

IUPAC1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
SMILES[H]/N=C(\C)c1ccc(C(C)=O)c(OC)c1
InChIInChI=1S/C11H13NO2/c1-7(12)9-4-5-10(8(2)13)11(6-9)14-3/h4-6,12H,1-3H3/b12-7+
InChIKeyXDMMZKPPUAZOIA-KPKJPENVSA-N
MW191.23 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone

1-(4-ethanimidoyl-2-methoxyphenyl)ethanone (PubChem CID 142132476) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
PubChem CID142132476
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
SMILES[H]/N=C(\C)c1ccc(C(C)=O)c(OC)c1
InChIInChI=1S/C11H13NO2/c1-7(12)9-4-5-10(8(2)13)11(6-9)14-3/h4-6,12H,1-3H3/b12-7+
InChIKeyXDMMZKPPUAZOIA-KPKJPENVSA-N
XLogP2.29
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574
4-acetyl-3-methoxybenzaldehyde
CID 14123550
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
4-acetyl-3-methoxybenzonitrile
CID 70047109
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-(2-methoxyphenyl)ethanimine
CID 154457857
3-(4-acetyl-3-methoxyphenyl)prop-2-enoic acid
CID 141209631
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
[(4-acetyl-3-methoxyphenyl)-acetyloxymethyl] acetate
CID 12982472
methyl 3-acetyl-4-methoxybenzoate
CID 10798398

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone (CID 142132476) is 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone is [H]/N=C(\C)c1ccc(C(C)=O)c(OC)c1.
What is the InChIKey of 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone?
The InChIKey is XDMMZKPPUAZOIA-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(12)9-4-5-10(8(2)13)11(6-9)14-3/h4-6,12H,1-3H3/b12-7+.
What are the key properties of 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone?
1-(4-ethanimidoyl-2-methoxyphenyl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethanimidoyl-2-methoxyphenyl)ethanone is sourced from PubChem (CID 142132476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).