4-(1-iminoprop-1-en-2-yl)benzaldehyde

C10H9NO — CID 142083563

IUPAC4-(1-iminoprop-1-en-2-yl)benzaldehyde
SMILESCC(=C=N)c1ccc(C=O)cc1
InChIInChI=1S/C10H9NO/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,7,11H,1H3
InChIKeySHFNMCLBLSXJCN-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.15
Rot. Bonds2

About 4-(1-iminoprop-1-en-2-yl)benzaldehyde

4-(1-iminoprop-1-en-2-yl)benzaldehyde (PubChem CID 142083563) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-(1-iminoprop-1-en-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-iminoprop-1-en-2-yl)benzaldehyde
PubChem CID142083563
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-(1-iminoprop-1-en-2-yl)benzaldehyde
SMILESCC(=C=N)c1ccc(C=O)cc1
InChIInChI=1S/C10H9NO/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,7,11H,1H3
InChIKeySHFNMCLBLSXJCN-UHFFFAOYSA-N
XLogP2.15
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
(E)-3-(4-formylphenyl)but-2-enoic acid
CID 135376045
4-formylbenzamide;methanamine
CID 144619239
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
CID 142977797
methylamino 4-formylbenzoate
CID 166845078
4-formylbenzoate
CID 4289537
azanium 4-formylbenzoic acid
CID 21271797
4-formylbenzoic acid;methoxymethane
CID 145138975
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
CID 162014823
prop-1-en-2-yl 4-formylbenzoate
CID 11469547
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]benzaldehyde
CID 142005838
2-[(Z)-1-(4-formylphenyl)ethylideneamino]guanidine
CID 89086080

Frequently Asked Questions

What is the IUPAC name of 4-(1-iminoprop-1-en-2-yl)benzaldehyde?
The IUPAC name of 4-(1-iminoprop-1-en-2-yl)benzaldehyde (CID 142083563) is 4-(1-iminoprop-1-en-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1-iminoprop-1-en-2-yl)benzaldehyde?
The canonical SMILES for 4-(1-iminoprop-1-en-2-yl)benzaldehyde is CC(=C=N)c1ccc(C=O)cc1.
What is the InChIKey of 4-(1-iminoprop-1-en-2-yl)benzaldehyde?
The InChIKey is SHFNMCLBLSXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,7,11H,1H3.
What are the key properties of 4-(1-iminoprop-1-en-2-yl)benzaldehyde?
4-(1-iminoprop-1-en-2-yl)benzaldehyde has a molecular weight of 159.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iminoprop-1-en-2-yl)benzaldehyde is sourced from PubChem (CID 142083563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).