1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one

C12H16N2O — CID 2824989

IUPAC1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C)c2ccccc2N(C)C1=O
InChIInChI=1S/C12H16N2O/c1-9-8-13(2)10-6-4-5-7-11(10)14(3)12(9)15/h4-7,9H,8H2,1-3H3
InChIKeySANQWJYRNLJHJX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.74
Rot. Bonds

About 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one

1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 2824989) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID2824989
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCC1CN(C)c2ccccc2N(C)C1=O
InChIInChI=1S/C12H16N2O/c1-9-8-13(2)10-6-4-5-7-11(10)14(3)12(9)15/h4-7,9H,8H2,1-3H3
InChIKeySANQWJYRNLJHJX-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 2824989) is 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one is CC1CN(C)c2ccccc2N(C)C1=O.
What is the InChIKey of 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is SANQWJYRNLJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-8-13(2)10-6-4-5-7-11(10)14(3)12(9)15/h4-7,9H,8H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one?
1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 2824989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).