2-[(2-ethenylphenyl)methylideneamino]acetaldehyde

C11H11NO — CID 143293885

IUPAC2-[(2-ethenylphenyl)methylideneamino]acetaldehyde
SMILESC=Cc1ccccc1/C=N/CC=O
InChIInChI=1S/C11H11NO/c1-2-10-5-3-4-6-11(10)9-12-7-8-13/h2-6,8-9H,1,7H2/b12-9+
InChIKeyZUZCSHNJNLMXCE-FMIVXFBMSA-N
MW173.21 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde

2-[(2-ethenylphenyl)methylideneamino]acetaldehyde (PubChem CID 143293885) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde.

Molecular Properties

Compound Name2-[(2-ethenylphenyl)methylideneamino]acetaldehyde
PubChem CID143293885
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-[(2-ethenylphenyl)methylideneamino]acetaldehyde
SMILESC=Cc1ccccc1/C=N/CC=O
InChIInChI=1S/C11H11NO/c1-2-10-5-3-4-6-11(10)9-12-7-8-13/h2-6,8-9H,1,7H2/b12-9+
InChIKeyZUZCSHNJNLMXCE-FMIVXFBMSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
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

N-but-3-enyl-1-(2-ethenylphenyl)methanimine
CID 167149734
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
carbon monoxide;chromium;2-ethenylbenzaldehyde
CID 11140117
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1-ethenylnaphthalene;propane
CID 90732485
1-ethenylpicene
CID 174294618
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde?
The IUPAC name of 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde (CID 143293885) is 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde.
What is the SMILES notation for 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde?
The canonical SMILES for 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde is C=Cc1ccccc1/C=N/CC=O.
What is the InChIKey of 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde?
The InChIKey is ZUZCSHNJNLMXCE-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-10-5-3-4-6-11(10)9-12-7-8-13/h2-6,8-9H,1,7H2/b12-9+.
What are the key properties of 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde?
2-[(2-ethenylphenyl)methylideneamino]acetaldehyde has a molecular weight of 173.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethenylphenyl)methylideneamino]acetaldehyde is sourced from PubChem (CID 143293885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).