2-(dimethylaminomethylidene)-1-benzoselenophen-3-one

C11H11NOSe — CID 74038472

IUPAC2-(dimethylaminomethylidene)-1-benzoselenophen-3-one
SMILESCN(C)C=C1[Se]c2ccccc2C1=O
InChIInChI=1S/C11H11NOSe/c1-12(2)7-10-11(13)8-5-3-4-6-9(8)14-10/h3-7H,1-2H3
InChIKeyKIVRUXNTVDXUEX-UHFFFAOYSA-N
MW252.18 g/mol
LogP0.62
Rot. Bonds1

About 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one

2-(dimethylaminomethylidene)-1-benzoselenophen-3-one (PubChem CID 74038472) has the molecular formula C11H11NOSe and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)-1-benzoselenophen-3-one
PubChem CID74038472
Molecular FormulaC11H11NOSe
Molecular Weight252.18 g/mol
Exact Mass253.00
IUPAC Name2-(dimethylaminomethylidene)-1-benzoselenophen-3-one
SMILESCN(C)C=C1[Se]c2ccccc2C1=O
InChIInChI=1S/C11H11NOSe/c1-12(2)7-10-11(13)8-5-3-4-6-9(8)14-10/h3-7H,1-2H3
InChIKeyKIVRUXNTVDXUEX-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one
CID 135051676
(2E)-2-(dimethylaminomethylidene)-1-benzothiophen-3-one
CID 661921
2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 4586381
3-(dimethylaminomethylidene)-2-methylthiochromen-4-one
CID 54498331
6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one
CID 54008411
(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one
CID 67426543
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
(2E,6E)-2,6-bis(dimethylaminomethylidene)-4-phenylcyclohexan-1-one
CID 11196878
(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
(2Z)-4-(3,4-dichlorophenyl)-2-(dimethylaminomethylidene)-3,4-dihydronaphthalen-1-one
CID 67426551
(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 902832

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one?
The IUPAC name of 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one (CID 74038472) is 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one.
What is the SMILES notation for 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one?
The canonical SMILES for 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one is CN(C)C=C1[Se]c2ccccc2C1=O.
What is the InChIKey of 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one?
The InChIKey is KIVRUXNTVDXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOSe/c1-12(2)7-10-11(13)8-5-3-4-6-9(8)14-10/h3-7H,1-2H3.
What are the key properties of 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one?
2-(dimethylaminomethylidene)-1-benzoselenophen-3-one has a molecular weight of 252.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)-1-benzoselenophen-3-one is sourced from PubChem (CID 74038472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).