4-aminobenzaldehyde;ethene

C9H11NO — CID 22154861

IUPAC4-aminobenzaldehyde;ethene
SMILESC=C.Nc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO.C2H4/c8-7-3-1-6(5-9)2-4-7;1-2/h1-5H,8H2;1-2H2
InChIKeyJDFHNPNLXRTVGQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds1

About 4-aminobenzaldehyde;ethene

4-aminobenzaldehyde;ethene (PubChem CID 22154861) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-aminobenzaldehyde;ethene.

Molecular Properties

Compound Name4-aminobenzaldehyde;ethene
PubChem CID22154861
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-aminobenzaldehyde;ethene
SMILESC=C.Nc1ccc(C=O)cc1
InChIInChI=1S/C7H7NO.C2H4/c8-7-3-1-6(5-9)2-4-7;1-2/h1-5H,8H2;1-2H2
InChIKeyJDFHNPNLXRTVGQ-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzaldehyde
CID 174906134
4-(4-aminophenyl)benzaldehyde
CID 1393544
aniline;4-fluorobenzaldehyde
CID 141187411
benzene;terephthalaldehyde
CID 163498156
benzaldehyde;ethene
CID 22005957
4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
CID 163197766
4-ethenylaniline;hydroiodide
CID 175384899
benzaldehyde;4-methoxyaniline
CID 159915454
carbon monoxide;chromium;terephthalaldehyde
CID 11108406
4-[2,3-diamino-4-(4-formylphenyl)phenyl]benzaldehyde
CID 155775839
4-aminobenzaldehyde;6-(methylamino)hexanal
CID 145444574
(4-formylphenyl)-methylideneoxidanium
CID 22960010

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzaldehyde;ethene?
The IUPAC name of 4-aminobenzaldehyde;ethene (CID 22154861) is 4-aminobenzaldehyde;ethene.
What is the SMILES notation for 4-aminobenzaldehyde;ethene?
The canonical SMILES for 4-aminobenzaldehyde;ethene is C=C.Nc1ccc(C=O)cc1.
What is the InChIKey of 4-aminobenzaldehyde;ethene?
The InChIKey is JDFHNPNLXRTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H4/c8-7-3-1-6(5-9)2-4-7;1-2/h1-5H,8H2;1-2H2.
What are the key properties of 4-aminobenzaldehyde;ethene?
4-aminobenzaldehyde;ethene has a molecular weight of 149.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzaldehyde;ethene is sourced from PubChem (CID 22154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).