4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C11H14N2O — CID 15684333

IUPAC4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)NC(C)CC(=O)N2
InChIInChI=1S/C11H14N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyOGKRSLIKGOTZBJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.14
Rot. Bonds

About 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 15684333) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID15684333
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)NC(C)CC(=O)N2
InChIInChI=1S/C11H14N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5,8,12H,6H2,1-2H3,(H,13,14)
InChIKeyOGKRSLIKGOTZBJ-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 15684333) is 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is Cc1ccc2c(c1)NC(C)CC(=O)N2.
What is the InChIKey of 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is OGKRSLIKGOTZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-3-4-9-10(5-7)12-8(2)6-11(14)13-9/h3-5,8,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 15684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).