10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

C17H20N4O2 — CID 20515492

About 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (PubChem CID 20515492) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.

Molecular Properties

• Compound Name: 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
• PubChem CID: 20515492
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.16
• IUPAC Name: 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
• SMILES: Cc1cn(C)c2c1N(C(=O)CN(C)C)c1ccccc1NC2=O
• InChI: InChI=1S/C17H20N4O2/c1-11-9-20(4)16-15(11)21(14(22)10-19(2)3)13-8-6-5-7-12(13)18-17(16)23/h5-9H,10H2,1-4H3,(H,18,23)
• InChIKey: NBFFERMBLNDAGV-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?

The IUPAC name of 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (CID 20515492) is 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.

What is the SMILES notation for 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?

The canonical SMILES for 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is Cc1cn(C)c2c1N(C(=O)CN(C)C)c1ccccc1NC2=O.

What is the InChIKey of 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?

The InChIKey is NBFFERMBLNDAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-9-20(4)16-15(11)21(14(22)10-19(2)3)13-8-6-5-7-12(13)18-17(16)23/h5-9H,10H2,1-4H3,(H,18,23).

What are the key properties of 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?

10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(dimethylamino)acetyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20515492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).