2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone

C14H14N4O — CID 86052443

IUPAC2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
SMILESCN(C)c1ccc2cc(C(=O)CN=[N+]=[N-])ccc2c1
InChIInChI=1S/C14H14N4O/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)14(19)9-16-17-15/h3-8H,9H2,1-2H3
InChIKeyZDXKJLOFWPJFRD-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.40
Rot. Bonds4

About 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone

2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone (PubChem CID 86052443) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
PubChem CID86052443
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
SMILESCN(C)c1ccc2cc(C(=O)CN=[N+]=[N-])ccc2c1
InChIInChI=1S/C14H14N4O/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)14(19)9-16-17-15/h3-8H,9H2,1-2H3
InChIKeyZDXKJLOFWPJFRD-UHFFFAOYSA-N
XLogP3.40
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598
1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one;propane
CID 66749463
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
4-(2-azidoacetyl)benzoic acid
CID 143075130
2-azido-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone;hydrochloride
CID 139798911
1-[6-[bis(trideuteriomethyl)amino]naphthalen-2-yl]propan-1-one
CID 71751796
2-azido-1-phenylethanone;ethane
CID 90958641
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
2-azido-1-pyridin-4-ylethanone
CID 98883069
2-azido-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 86632013
1-[6-(dimethylamino)naphthalen-2-yl]-3-[(2R)-2-methylhex-5-enyl]sulfanylpropan-1-one
CID 163692558

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone?
The IUPAC name of 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone (CID 86052443) is 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone.
What is the SMILES notation for 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone?
The canonical SMILES for 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone is CN(C)c1ccc2cc(C(=O)CN=[N+]=[N-])ccc2c1.
What is the InChIKey of 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone?
The InChIKey is ZDXKJLOFWPJFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)14(19)9-16-17-15/h3-8H,9H2,1-2H3.
What are the key properties of 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone?
2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone has a molecular weight of 254.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone is sourced from PubChem (CID 86052443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).