2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde

C12H13NO2 — CID 143133373

IUPAC2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde
SMILESC=Cc1cc(OC)c(CC=O)cc1N=C
InChIInChI=1S/C12H13NO2/c1-4-9-8-12(15-3)10(5-6-14)7-11(9)13-2/h4,6-8H,1-2,5H2,3H3
InChIKeyUDBCKOFJXOCZJN-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde

2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde (PubChem CID 143133373) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde
PubChem CID143133373
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde
SMILESC=Cc1cc(OC)c(CC=O)cc1N=C
InChIInChI=1S/C12H13NO2/c1-4-9-8-12(15-3)10(5-6-14)7-11(9)13-2/h4,6-8H,1-2,5H2,3H3
InChIKeyUDBCKOFJXOCZJN-UHFFFAOYSA-N
XLogP2.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.41
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'}

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Related Compounds

4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
(2-ethenyl-4,5-dimethoxyphenyl)methanol
CID 121218143
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
N-(2-ethenyl-4-methyl-5-propoxyphenyl)methanimine
CID 169264096
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
CID 107430238
2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
2-(2,3-dihydroxy-4-methoxyphenyl)acetaldehyde
CID 87549008
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
3-methoxy-4-(2-oxoethyl)benzonitrile
CID 77230687
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde?
The IUPAC name of 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde (CID 143133373) is 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde?
The canonical SMILES for 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde is C=Cc1cc(OC)c(CC=O)cc1N=C.
What is the InChIKey of 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde?
The InChIKey is UDBCKOFJXOCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-4-9-8-12(15-3)10(5-6-14)7-11(9)13-2/h4,6-8H,1-2,5H2,3H3.
What are the key properties of 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde?
2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde is sourced from PubChem (CID 143133373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).