7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium

C9H8CdOSe — CID 174060181

IUPAC7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium
SMILES[Cd].c1ccc2c(c1)CC1[Se]C1O2
InChIInChI=1S/C9H8OSe.Cd/c1-2-4-7-6(3-1)5-8-9(10-7)11-8;/h1-4,8-9H,5H2;
InChIKeyMIYRZLAWEJDLHX-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.45
Rot. Bonds

About 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium

7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium (PubChem CID 174060181) has the molecular formula C9H8CdOSe and a molecular weight of 323.53 g/mol. Its IUPAC name is 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium.

Molecular Properties

Compound Name7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium
PubChem CID174060181
Molecular FormulaC9H8CdOSe
Molecular Weight323.53 g/mol
Exact Mass325.88
IUPAC Name7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium
SMILES[Cd].c1ccc2c(c1)CC1[Se]C1O2
InChIInChI=1S/C9H8OSe.Cd/c1-2-4-7-6(3-1)5-8-9(10-7)11-8;/h1-4,8-9H,5H2;
InChIKeyMIYRZLAWEJDLHX-UHFFFAOYSA-N
XLogP1.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium?
The IUPAC name of 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium (CID 174060181) is 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium.
What is the SMILES notation for 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium?
The canonical SMILES for 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium is [Cd].c1ccc2c(c1)CC1[Se]C1O2.
What is the InChIKey of 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium?
The InChIKey is MIYRZLAWEJDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OSe.Cd/c1-2-4-7-6(3-1)5-8-9(10-7)11-8;/h1-4,8-9H,5H2;.
What are the key properties of 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium?
7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium has a molecular weight of 323.53 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7a-dihydro-1aH-selenireno[2,3-b]chromene;cadmium is sourced from PubChem (CID 174060181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).