2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one

C14H14N2OSe — CID 13163757

IUPAC2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(c2c[se]c(N)n2)CCc2ccccc2C1=O
InChIInChI=1S/C14H14N2OSe/c1-14(11-8-18-13(15)16-11)7-6-9-4-2-3-5-10(9)12(14)17/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyNUMJFJFNLGNJAB-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.81
Rot. Bonds1

About 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one

2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 13163757) has the molecular formula C14H14N2OSe and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID13163757
Molecular FormulaC14H14N2OSe
Molecular Weight305.24 g/mol
Exact Mass306.03
IUPAC Name2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCC1(c2c[se]c(N)n2)CCc2ccccc2C1=O
InChIInChI=1S/C14H14N2OSe/c1-14(11-8-18-13(15)16-11)7-6-9-4-2-3-5-10(9)12(14)17/h2-5,8H,6-7H2,1H3,(H2,15,16)
InChIKeyNUMJFJFNLGNJAB-UHFFFAOYSA-N
XLogP1.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 154501278
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 101455573
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
CID 14591548
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
3,3-dimethyl-4,5-dihydro-2H-2-benzazepin-1-one
CID 22903646
6-acetyl-6-hydroxy-8,9-dihydrobenzo[7]annulene-5,7-dione
CID 59771919

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one (CID 13163757) is 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one is CC1(c2c[se]c(N)n2)CCc2ccccc2C1=O.
What is the InChIKey of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is NUMJFJFNLGNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OSe/c1-14(11-8-18-13(15)16-11)7-6-9-4-2-3-5-10(9)12(14)17/h2-5,8H,6-7H2,1H3,(H2,15,16).
What are the key properties of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 305.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 13163757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).