4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde

C10H11NO2 — CID 142977797

IUPAC4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
SMILESCO/N=C(/C)c1ccc(C=O)cc1
InChIInChI=1S/C10H11NO2/c1-8(11-13-2)10-5-3-9(7-12)4-6-10/h3-7H,1-2H3/b11-8-
InChIKeyWSFHNDDJGIHBKS-FLIBITNWSA-N
MW177.20 g/mol
LogP1.87
Rot. Bonds3

About 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde

4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde (PubChem CID 142977797) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
PubChem CID142977797
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
SMILESCO/N=C(/C)c1ccc(C=O)cc1
InChIInChI=1S/C10H11NO2/c1-8(11-13-2)10-5-3-9(7-12)4-6-10/h3-7H,1-2H3/b11-8-
InChIKeyWSFHNDDJGIHBKS-FLIBITNWSA-N
XLogP1.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
CID 89086080
4-formylbenzoic acid;methoxymethane
CID 145138975
ethane;methyl 4-formylbenzoate
CID 91069506
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
4-amino-6-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]anilino]pyrimidine-5-carbaldehyde
CID 87198622
(Z)-1-(4-butylphenyl)-N-methoxyethanimine
CID 90777266
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
prop-1-en-2-yl 4-formylbenzoate
CID 11469547
4-(1-iminoprop-1-en-2-yl)benzaldehyde
CID 142083563

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde?
The IUPAC name of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde (CID 142977797) is 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde.
What is the SMILES notation for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde?
The canonical SMILES for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde is CO/N=C(/C)c1ccc(C=O)cc1.
What is the InChIKey of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde?
The InChIKey is WSFHNDDJGIHBKS-FLIBITNWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(11-13-2)10-5-3-9(7-12)4-6-10/h3-7H,1-2H3/b11-8-.
What are the key properties of 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde?
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde is sourced from PubChem (CID 142977797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).