1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten

C10H11NW — CID 177269474

IUPAC1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten
SMILES[W]=C1Cc2ccccc2CCN1
InChIInChI=1S/C10H11N.W/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-7H2;
InChIKeyNZYWYIMOJMHSNJ-UHFFFAOYSA-N
MW329.05 g/mol
LogP1.05
Rot. Bonds

About 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten

1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten (PubChem CID 177269474) has the molecular formula C10H11NW and a molecular weight of 329.05 g/mol. Its IUPAC name is 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten.

Molecular Properties

Compound Name1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten
PubChem CID177269474
Molecular FormulaC10H11NW
Molecular Weight329.05 g/mol
Exact Mass329.04
IUPAC Name1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten
SMILES[W]=C1Cc2ccccc2CCN1
InChIInChI=1S/C10H11N.W/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-7H2;
InChIKeyNZYWYIMOJMHSNJ-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.05
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten?
The IUPAC name of 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten (CID 177269474) is 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten.
What is the SMILES notation for 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten?
The canonical SMILES for 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten is [W]=C1Cc2ccccc2CCN1.
What is the InChIKey of 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten?
The InChIKey is NZYWYIMOJMHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.W/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-7H2;.
What are the key properties of 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten?
1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten has a molecular weight of 329.05 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydro-3-benzazepin-4-ylidenetungsten is sourced from PubChem (CID 177269474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).