(3Z)-3-pentylidene-2-benzoselenophen-1-one

C13H14OSe — CID 10563615

IUPAC(3Z)-3-pentylidene-2-benzoselenophen-1-one
SMILESCCCC/C=C1\[Se]C(=O)c2ccccc21
InChIInChI=1S/C13H14OSe/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-9H,2-4H2,1H3/b12-9-
InChIKeyPFMVJGFZQSPNET-XFXZXTDPSA-N
MW265.21 g/mol
LogP3.08
Rot. Bonds3

About (3Z)-3-pentylidene-2-benzoselenophen-1-one

(3Z)-3-pentylidene-2-benzoselenophen-1-one (PubChem CID 10563615) has the molecular formula C13H14OSe and a molecular weight of 265.21 g/mol. Its IUPAC name is (3Z)-3-pentylidene-2-benzoselenophen-1-one.

Molecular Properties

Compound Name(3Z)-3-pentylidene-2-benzoselenophen-1-one
PubChem CID10563615
Molecular FormulaC13H14OSe
Molecular Weight265.21 g/mol
Exact Mass266.02
IUPAC Name(3Z)-3-pentylidene-2-benzoselenophen-1-one
SMILESCCCC/C=C1\[Se]C(=O)c2ccccc21
InChIInChI=1S/C13H14OSe/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-9H,2-4H2,1H3/b12-9-
InChIKeyPFMVJGFZQSPNET-XFXZXTDPSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E)-2-pentylidene-5-phenylfuran-3-one
CID 177397277
(3E)-3-hexylidene-1H-2-benzofuran
CID 134982783
3-hept-1-enyl-4-hydroxynaphthalene-1,2-dione
CID 71334548
3-hex-1-enyl-2,3-dihydroisoindol-1-one
CID 174651574
(3Z)-3-butylidene-2-benzofuran-1-one;ethane
CID 143103273
azane;3-butylidene-2-benzofuran-1-one
CID 174279522
(2S,5Z)-5-pentylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 146308037
(3E)-3-[(E)-hex-1-enyl]sulfanylimino-2-benzofuran-1-one
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CID 162068050

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-pentylidene-2-benzoselenophen-1-one?
The IUPAC name of (3Z)-3-pentylidene-2-benzoselenophen-1-one (CID 10563615) is (3Z)-3-pentylidene-2-benzoselenophen-1-one.
What is the SMILES notation for (3Z)-3-pentylidene-2-benzoselenophen-1-one?
The canonical SMILES for (3Z)-3-pentylidene-2-benzoselenophen-1-one is CCCC/C=C1\[Se]C(=O)c2ccccc21.
What is the InChIKey of (3Z)-3-pentylidene-2-benzoselenophen-1-one?
The InChIKey is PFMVJGFZQSPNET-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H14OSe/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h5-9H,2-4H2,1H3/b12-9-.
What are the key properties of (3Z)-3-pentylidene-2-benzoselenophen-1-one?
(3Z)-3-pentylidene-2-benzoselenophen-1-one has a molecular weight of 265.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-pentylidene-2-benzoselenophen-1-one is sourced from PubChem (CID 10563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).