8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

C15H18N2O3 — CID 143515811

About 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (PubChem CID 143515811) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.

Molecular Properties

• Compound Name: 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• PubChem CID: 143515811
• Molecular Formula: C15H18N2O3
• Molecular Weight: 274.32 g/mol
• Exact Mass: 274.13
• IUPAC Name: 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
• SMILES: CCC1CC2C=Nc3cc(O)c(OC)cc3C(=O)N2C1
• InChI: InChI=1S/C15H18N2O3/c1-3-9-4-10-7-16-12-6-13(18)14(20-2)5-11(12)15(19)17(10)8-9/h5-7,9-10,18H,3-4,8H2,1-2H3
• InChIKey: HYFBFXHIWRWFTJ-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.32
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?

The IUPAC name of 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (CID 143515811) is 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.

What is the SMILES notation for 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?

The canonical SMILES for 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is CCC1CC2C=Nc3cc(O)c(OC)cc3C(=O)N2C1.

What is the InChIKey of 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?

The InChIKey is HYFBFXHIWRWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-9-4-10-7-16-12-6-13(18)14(20-2)5-11(12)15(19)17(10)8-9/h5-7,9-10,18H,3-4,8H2,1-2H3.

What are the key properties of 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?

8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one has a molecular weight of 274.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is sourced from PubChem (CID 143515811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).