5-(dimethylamino)naphthalene-2,3-dicarbaldehyde

C14H13NO2 — CID 14121484

IUPAC5-(dimethylamino)naphthalene-2,3-dicarbaldehyde
SMILESCN(C)c1cccc2cc(C=O)c(C=O)cc12
InChIInChI=1S/C14H13NO2/c1-15(2)14-5-3-4-10-6-11(8-16)12(9-17)7-13(10)14/h3-9H,1-2H3
InChIKeyDHEDZSFAUKRTKU-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.53
Rot. Bonds3

About 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde

5-(dimethylamino)naphthalene-2,3-dicarbaldehyde (PubChem CID 14121484) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)naphthalene-2,3-dicarbaldehyde
PubChem CID14121484
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-(dimethylamino)naphthalene-2,3-dicarbaldehyde
SMILESCN(C)c1cccc2cc(C=O)c(C=O)cc12
InChIInChI=1S/C14H13NO2/c1-15(2)14-5-3-4-10-6-11(8-16)12(9-17)7-13(10)14/h3-9H,1-2H3
InChIKeyDHEDZSFAUKRTKU-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde?
The IUPAC name of 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde (CID 14121484) is 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde.
What is the SMILES notation for 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde?
The canonical SMILES for 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde is CN(C)c1cccc2cc(C=O)c(C=O)cc12.
What is the InChIKey of 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde?
The InChIKey is DHEDZSFAUKRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15(2)14-5-3-4-10-6-11(8-16)12(9-17)7-13(10)14/h3-9H,1-2H3.
What are the key properties of 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde?
5-(dimethylamino)naphthalene-2,3-dicarbaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)naphthalene-2,3-dicarbaldehyde is sourced from PubChem (CID 14121484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).