1,3-dimethyl-1,3-diphenylselenourea

C15H16N2Se — CID 12787621

IUPAC1,3-dimethyl-1,3-diphenylselenourea
SMILESCN(C(=[Se])N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyGEHHLDJPZBARCN-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.52
Rot. Bonds4

About 1,3-dimethyl-1,3-diphenylselenourea

1,3-dimethyl-1,3-diphenylselenourea (PubChem CID 12787621) has the molecular formula C15H16N2Se and a molecular weight of 303.27 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diphenylselenourea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diphenylselenourea
PubChem CID12787621
Molecular FormulaC15H16N2Se
Molecular Weight303.27 g/mol
Exact Mass304.05
IUPAC Name1,3-dimethyl-1,3-diphenylselenourea
SMILESCN(C(=[Se])N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyGEHHLDJPZBARCN-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[1-(methylideneamino)ethenyl]aniline
CID 166988415
2-(N-methylanilino)prop-2-enal
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N,N-dimethylaniline;methanol
CID 143205399
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
N,N-dimethylaniline
CID 70392672
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
N-methyl-N-[(Z)-4-methylpent-2-en-3-yl]aniline
CID 135253845
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diphenylselenourea?
The IUPAC name of 1,3-dimethyl-1,3-diphenylselenourea (CID 12787621) is 1,3-dimethyl-1,3-diphenylselenourea.
What is the SMILES notation for 1,3-dimethyl-1,3-diphenylselenourea?
The canonical SMILES for 1,3-dimethyl-1,3-diphenylselenourea is CN(C(=[Se])N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-1,3-diphenylselenourea?
The InChIKey is GEHHLDJPZBARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diphenylselenourea?
1,3-dimethyl-1,3-diphenylselenourea has a molecular weight of 303.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diphenylselenourea is sourced from PubChem (CID 12787621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).