2-(dimethylamino)naphthalene-1,4-dione

C12H11NO2 — CID 16870

IUPAC2-(dimethylamino)naphthalene-1,4-dione
SMILESCN(C)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO2/c1-13(2)10-7-11(14)8-5-3-4-6-9(8)12(10)15/h3-7H,1-2H3
InChIKeyOCDJBQCSKVSZHQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.51
Rot. Bonds1

About 2-(dimethylamino)naphthalene-1,4-dione

2-(dimethylamino)naphthalene-1,4-dione (PubChem CID 16870) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(dimethylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(dimethylamino)naphthalene-1,4-dione
PubChem CID16870
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(dimethylamino)naphthalene-1,4-dione
SMILESCN(C)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C12H11NO2/c1-13(2)10-7-11(14)8-5-3-4-6-9(8)12(10)15/h3-7H,1-2H3
InChIKeyOCDJBQCSKVSZHQ-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Metamfepramone
CID 71872
3-Aminonaphthoquinone
CID 72909
Marcanine A
CID 10105653
2-Methylamino-1,4-naphthoquinone
CID 464135
2-Chloro-3-(dimethylamino)-1,4-naphthalenedione
CID 21448
2-(Ethylamino)naphthalene-1,4-dione
CID 312577
1,4-Naphthoquinone, 2-(cyclohexylmethylamino)-
CID 32141
1,4-Naphthoquinone, 2-(isopropylamino)-
CID 42612
4-(1-Piperidinyl)-1,2-naphthalenedione
CID 3393623
2-Chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
CID 237102
2-Chloro-3-(propan-2-ylamino)naphthalene-1,4-dione
CID 260182
2-[(2-Phenylethyl)amino]naphthoquinone
CID 304447

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(dimethylamino)naphthalene-1,4-dione (CID 16870) is 2-(dimethylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(dimethylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(dimethylamino)naphthalene-1,4-dione is CN(C)C1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(dimethylamino)naphthalene-1,4-dione?
The InChIKey is OCDJBQCSKVSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13(2)10-7-11(14)8-5-3-4-6-9(8)12(10)15/h3-7H,1-2H3.
What are the key properties of 2-(dimethylamino)naphthalene-1,4-dione?
2-(dimethylamino)naphthalene-1,4-dione has a molecular weight of 201.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)naphthalene-1,4-dione is sourced from PubChem (CID 16870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).