3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one

C13H16N2O — CID 57408916

IUPAC3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCC1=Nc2cc(C)c(C)cc2NC(=O)C1C
InChIInChI=1S/C13H16N2O/c1-7-5-11-12(6-8(7)2)15-13(16)9(3)10(4)14-11/h5-6,9H,1-4H3,(H,15,16)
InChIKeyMXEHDTIDPWYJAS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.98
Rot. Bonds

About 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one

3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 57408916) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID57408916
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCC1=Nc2cc(C)c(C)cc2NC(=O)C1C
InChIInChI=1S/C13H16N2O/c1-7-5-11-12(6-8(7)2)15-13(16)9(3)10(4)14-11/h5-6,9H,1-4H3,(H,15,16)
InChIKeyMXEHDTIDPWYJAS-UHFFFAOYSA-N
XLogP2.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 57408916) is 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one is CC1=Nc2cc(C)c(C)cc2NC(=O)C1C.
What is the InChIKey of 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is MXEHDTIDPWYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-7-5-11-12(6-8(7)2)15-13(16)9(3)10(4)14-11/h5-6,9H,1-4H3,(H,15,16).
What are the key properties of 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one?
3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetramethyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 57408916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).