(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one

C15H17NOSe — CID 10518710

IUPAC(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one
SMILESCCCCN1C(=O)C=C/C1=C/[Se]c1ccccc1
InChIInChI=1S/C15H17NOSe/c1-2-3-11-16-13(9-10-15(16)17)12-18-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3/b13-12-
InChIKeyMGENSIIOCYMDDO-SEYXRHQNSA-N
MW306.27 g/mol
LogP2.06
Rot. Bonds5

About (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one

(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one (PubChem CID 10518710) has the molecular formula C15H17NOSe and a molecular weight of 306.27 g/mol. Its IUPAC name is (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one
PubChem CID10518710
Molecular FormulaC15H17NOSe
Molecular Weight306.27 g/mol
Exact Mass307.05
IUPAC Name(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one
SMILESCCCCN1C(=O)C=C/C1=C/[Se]c1ccccc1
InChIInChI=1S/C15H17NOSe/c1-2-3-11-16-13(9-10-15(16)17)12-18-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3/b13-12-
InChIKeyMGENSIIOCYMDDO-SEYXRHQNSA-N
XLogP2.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 160820729
1-hexadecylpyrrole-2,5-dione
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CID 58822038
5-benzylidene-1-butyl-4-methylpyrrol-2-one
CID 155934046
1-butylpyrrole-2,5-dione;1H-pyrimidine-2,4-dione
CID 70159738
1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
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1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618
2-butyl-6-(2-phenylselanylethylamino)benzo[de]isoquinoline-1,3-dione
CID 70689394
3-[(E)-(1-butylquinolin-2-ylidene)methyl]-4-hydroxycyclobut-3-ene-1,2-dione
CID 101353829
7-bromo-1-pentylindole-2,3-dione
CID 61356330
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860
(5E)-3-butyl-5-[2-(N-phenylanilino)ethylidene]-1,3-oxazolidine-2,4-dione
CID 58587336

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one?
The IUPAC name of (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one (CID 10518710) is (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one.
What is the SMILES notation for (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one?
The canonical SMILES for (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one is CCCCN1C(=O)C=C/C1=C/[Se]c1ccccc1.
What is the InChIKey of (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one?
The InChIKey is MGENSIIOCYMDDO-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H17NOSe/c1-2-3-11-16-13(9-10-15(16)17)12-18-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3/b13-12-.
What are the key properties of (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one?
(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one has a molecular weight of 306.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one is sourced from PubChem (CID 10518710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).