2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde

C14H10N2O2 — CID 18683561

IUPAC2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde
SMILESO=C/C=N/c1cccc2c(/N=C/C=O)cccc12
InChIInChI=1S/C14H10N2O2/c17-9-7-15-13-5-1-3-11-12(13)4-2-6-14(11)16-8-10-18/h1-10H/b15-7+,16-8+
InChIKeyCUIFUBUCSBHHKK-BGPOSVGRSA-N
MW238.25 g/mol
LogP2.64
Rot. Bonds4

About 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde

2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde (PubChem CID 18683561) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde
PubChem CID18683561
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde
SMILESO=C/C=N/c1cccc2c(/N=C/C=O)cccc12
InChIInChI=1S/C14H10N2O2/c17-9-7-15-13-5-1-3-11-12(13)4-2-6-14(11)16-8-10-18/h1-10H/b15-7+,16-8+
InChIKeyCUIFUBUCSBHHKK-BGPOSVGRSA-N
XLogP2.64
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Naphthyl isocyanate
CID 66589
1,5-Naphthalene diisocyanate
CID 18503
2-Butanol, 4-(1-naphthalenylimino)-
CID 107124
Naphthalene, 1,4-diisocyanato-
CID 11948529
N-naphthalen-1-ylmethanimine
CID 15169364
3h-1-Azaphenalene
CID 70344860
2-Naphthalen-1-yliminoethanamine
CID 91450667
1,8-Diisocyanatonaphthalene
CID 21448947
3-Naphthalen-2-yliminopropan-1-ol
CID 53794622
Naphtho[1,8-ef][1,4]diazepine
CID 166624694
4-(2-Naphthylimino)-2-butanone
CID 4186198
(1E)-N-(Naphthalen-1-yl)ethanimine
CID 17799610

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde?
The IUPAC name of 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde (CID 18683561) is 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde.
What is the SMILES notation for 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde?
The canonical SMILES for 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde is O=C/C=N/c1cccc2c(/N=C/C=O)cccc12.
What is the InChIKey of 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde?
The InChIKey is CUIFUBUCSBHHKK-BGPOSVGRSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-9-7-15-13-5-1-3-11-12(13)4-2-6-14(11)16-8-10-18/h1-10H/b15-7+,16-8+.
What are the key properties of 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde?
2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde has a molecular weight of 238.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-oxoethylideneamino)naphthalen-1-yl]iminoacetaldehyde is sourced from PubChem (CID 18683561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).