10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C24H21NO3 — CID 3524533

IUPAC10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1CCO
InChIInChI=1S/C24H21NO3/c26-14-13-25-23(27)21-17-11-12-18(22(21)24(25)28)20(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,21-22,26H,13-14H2
InChIKeyBGNWPQMCQZSXKT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.90
Rot. Bonds4

About 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 3524533) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID3524533
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1CCO
InChIInChI=1S/C24H21NO3/c26-14-13-25-23(27)21-17-11-12-18(22(21)24(25)28)20(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,21-22,26H,13-14H2
InChIKeyBGNWPQMCQZSXKT-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 3524533) is 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3=C(c3ccccc3)c3ccccc3)C2C(=O)N1CCO.
What is the InChIKey of 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is BGNWPQMCQZSXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-14-13-25-23(27)21-17-11-12-18(22(21)24(25)28)20(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18,21-22,26H,13-14H2.
What are the key properties of 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 371.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzhydrylidene-4-(2-hydroxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 3524533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).