2-(benzylideneamino)acetaldehyde

C9H9NO — CID 19818582

IUPAC2-(benzylideneamino)acetaldehyde
SMILESO=CC/N=C/c1ccccc1
InChIInChI=1S/C9H9NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7-8H,6H2/b10-8+
InChIKeyFEYIWEAMAPZKOL-CSKARUKUSA-N
MW147.18 g/mol
LogP1.30
Rot. Bonds3

About 2-(benzylideneamino)acetaldehyde

2-(benzylideneamino)acetaldehyde (PubChem CID 19818582) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(benzylideneamino)acetaldehyde.

Molecular Properties

Compound Name2-(benzylideneamino)acetaldehyde
PubChem CID19818582
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(benzylideneamino)acetaldehyde
SMILESO=CC/N=C/c1ccccc1
InChIInChI=1S/C9H9NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7-8H,6H2/b10-8+
InChIKeyFEYIWEAMAPZKOL-CSKARUKUSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.30
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

2-[(2-ethenylphenyl)methylideneamino]acetaldehyde
CID 143293885
phosphanyl 2-(benzylideneamino)acetate
CID 88978605
azane;2-chloro-3-[4-(2-oxoethyliminomethyl)phenyl]propanoic acid
CID 123243037
1-(benzylideneamino)-N,N-dimethylmethanamine
CID 70014229
1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
methyl 2-(benzylideneamino)acetate
CID 132550307
2-(benzylideneamino)ethyl-trimethylazanium
CID 13048432
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259
(NE)-N-benzylidenenaphthalene-1-sulfonamide
CID 15184776
N-oxido-1-phenylmethanimine
CID 3712496
ethane;N-methyl-1-phenylmethanimine
CID 90887000
(benzylideneamino)-oxosulfanium
CID 172739102

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)acetaldehyde?
The IUPAC name of 2-(benzylideneamino)acetaldehyde (CID 19818582) is 2-(benzylideneamino)acetaldehyde.
What is the SMILES notation for 2-(benzylideneamino)acetaldehyde?
The canonical SMILES for 2-(benzylideneamino)acetaldehyde is O=CC/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)acetaldehyde?
The InChIKey is FEYIWEAMAPZKOL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H9NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,7-8H,6H2/b10-8+.
What are the key properties of 2-(benzylideneamino)acetaldehyde?
2-(benzylideneamino)acetaldehyde has a molecular weight of 147.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)acetaldehyde is sourced from PubChem (CID 19818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).