1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

C13H18N2O — CID 84623085

IUPAC1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1C)NCC(C)C(=O)N2C
InChIInChI=1S/C13H18N2O/c1-8-5-6-11-12(10(8)3)14-7-9(2)13(16)15(11)4/h5-6,9,14H,7H2,1-4H3
InChIKeyBRCMVUZPXNZFTN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds

About 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (PubChem CID 84623085) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
PubChem CID84623085
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1C)NCC(C)C(=O)N2C
InChIInChI=1S/C13H18N2O/c1-8-5-6-11-12(10(8)3)14-7-9(2)13(16)15(11)4/h5-6,9,14H,7H2,1-4H3
InChIKeyBRCMVUZPXNZFTN-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (CID 84623085) is 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is Cc1ccc2c(c1C)NCC(C)C(=O)N2C.
What is the InChIKey of 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The InChIKey is BRCMVUZPXNZFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-6-11-12(10(8)3)14-7-9(2)13(16)15(11)4/h5-6,9,14H,7H2,1-4H3.
What are the key properties of 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84623085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).