4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one

C13H17N3O — CID 3046675

IUPAC4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCCN(CC)C1=Nc2ccccc2NC(=O)C1
InChIInChI=1S/C13H17N3O/c1-3-16(4-2)12-9-13(17)15-11-8-6-5-7-10(11)14-12/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyUFNFGPTZHKCQKM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.40
Rot. Bonds2

About 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one

4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 3046675) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID3046675
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCCN(CC)C1=Nc2ccccc2NC(=O)C1
InChIInChI=1S/C13H17N3O/c1-3-16(4-2)12-9-13(17)15-11-8-6-5-7-10(11)14-12/h5-8H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyUFNFGPTZHKCQKM-UHFFFAOYSA-N
XLogP2.40
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 3046675) is 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one is CCN(CC)C1=Nc2ccccc2NC(=O)C1.
What is the InChIKey of 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is UFNFGPTZHKCQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16(4-2)12-9-13(17)15-11-8-6-5-7-10(11)14-12/h5-8H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3046675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).