5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

C11H14N2O — CID 83697701

IUPAC5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
SMILESCCC1NCC(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-9-8-5-3-4-6-10(8)13-11(14)7-12-9/h3-6,9,12H,2,7H2,1H3,(H,13,14)
InChIKeyODBMRWSRZRVUCZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.68
Rot. Bonds1

About 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (PubChem CID 83697701) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
PubChem CID83697701
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
SMILESCCC1NCC(=O)Nc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-9-8-5-3-4-6-10(8)13-11(14)7-12-9/h3-6,9,12H,2,7H2,1H3,(H,13,14)
InChIKeyODBMRWSRZRVUCZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CID 83697701) is 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is CCC1NCC(=O)Nc2ccccc21.
What is the InChIKey of 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The InChIKey is ODBMRWSRZRVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-9-8-5-3-4-6-10(8)13-11(14)7-12-9/h3-6,9,12H,2,7H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 83697701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).