2-imino-1-[4-(methoxymethyl)phenyl]ethanone

C10H11NO2 — CID 91176912

IUPAC2-imino-1-[4-(methoxymethyl)phenyl]ethanone
SMILES[H]/N=C/C(=O)c1ccc(COC)cc1
InChIInChI=1S/C10H11NO2/c1-13-7-8-2-4-9(5-3-8)10(12)6-11/h2-6,11H,7H2,1H3/b11-6+
InChIKeyHYACLQJFVQMZEW-IZZDOVSWSA-N
MW177.20 g/mol
LogP1.67
Rot. Bonds4

About 2-imino-1-[4-(methoxymethyl)phenyl]ethanone

2-imino-1-[4-(methoxymethyl)phenyl]ethanone (PubChem CID 91176912) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-imino-1-[4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-imino-1-[4-(methoxymethyl)phenyl]ethanone
PubChem CID91176912
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-imino-1-[4-(methoxymethyl)phenyl]ethanone
SMILES[H]/N=C/C(=O)c1ccc(COC)cc1
InChIInChI=1S/C10H11NO2/c1-13-7-8-2-4-9(5-3-8)10(12)6-11/h2-6,11H,7H2,1H3/b11-6+
InChIKeyHYACLQJFVQMZEW-IZZDOVSWSA-N
XLogP1.67
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.67
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

(Z)-1,2,3,4-tetrakis[4-(methoxymethyl)phenyl]but-2-ene-1,4-dione
CID 10907869
methyl 2-[4-(methoxymethyl)phenyl]-2-oxoacetate
CID 91655841
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
2-amino-1-[4-(methoxymethyl)phenyl]propan-1-one
CID 76541422
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
2-(4-acetylbenzoyl)oxyethyl 4-(methoxymethyl)benzoate;methane
CID 158740557
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
CID 175687235

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-[4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-imino-1-[4-(methoxymethyl)phenyl]ethanone (CID 91176912) is 2-imino-1-[4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-imino-1-[4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-imino-1-[4-(methoxymethyl)phenyl]ethanone is [H]/N=C/C(=O)c1ccc(COC)cc1.
What is the InChIKey of 2-imino-1-[4-(methoxymethyl)phenyl]ethanone?
The InChIKey is HYACLQJFVQMZEW-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-7-8-2-4-9(5-3-8)10(12)6-11/h2-6,11H,7H2,1H3/b11-6+.
What are the key properties of 2-imino-1-[4-(methoxymethyl)phenyl]ethanone?
2-imino-1-[4-(methoxymethyl)phenyl]ethanone has a molecular weight of 177.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-[4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 91176912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).