N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide

C11H14N2Se — CID 10857982

IUPACN-[1-(dimethylamino)ethylidene]benzenecarboselenoamide
SMILESC/C(=N\C(=[Se])c1ccccc1)N(C)C
InChIInChI=1S/C11H14N2Se/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+
InChIKeyIXZMCPHGCVMPQM-FMIVXFBMSA-N
MW253.21 g/mol
LogP1.31
Rot. Bonds2

About N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide

N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide (PubChem CID 10857982) has the molecular formula C11H14N2Se and a molecular weight of 253.21 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]benzenecarboselenoamide
PubChem CID10857982
Molecular FormulaC11H14N2Se
Molecular Weight253.21 g/mol
Exact Mass254.03
IUPAC NameN-[1-(dimethylamino)ethylidene]benzenecarboselenoamide
SMILESC/C(=N\C(=[Se])c1ccccc1)N(C)C
InChIInChI=1S/C11H14N2Se/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+
InChIKeyIXZMCPHGCVMPQM-FMIVXFBMSA-N
XLogP1.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide (CID 10857982) is N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide is C/C(=N\C(=[Se])c1ccccc1)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide?
The InChIKey is IXZMCPHGCVMPQM-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N2Se/c1-9(13(2)3)12-11(14)10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9+.
What are the key properties of N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide?
N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide has a molecular weight of 253.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]benzenecarboselenoamide is sourced from PubChem (CID 10857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).