7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine

C11H14N2 — CID 57263876

IUPAC7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine
SMILESCC1(C)C=CC2=C(C=NC=CN2)C1
InChIInChI=1S/C11H14N2/c1-11(2)4-3-10-9(7-11)8-12-5-6-13-10/h3-6,8,13H,7H2,1-2H3
InChIKeyGCSPKRHWJHWIAD-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.37
Rot. Bonds

About 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine

7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine (PubChem CID 57263876) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine
PubChem CID57263876
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine
SMILESCC1(C)C=CC2=C(C=NC=CN2)C1
InChIInChI=1S/C11H14N2/c1-11(2)4-3-10-9(7-11)8-12-5-6-13-10/h3-6,8,13H,7H2,1-2H3
InChIKeyGCSPKRHWJHWIAD-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine?
The IUPAC name of 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine (CID 57263876) is 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine is CC1(C)C=CC2=C(C=NC=CN2)C1.
What is the InChIKey of 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine?
The InChIKey is GCSPKRHWJHWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2)4-3-10-9(7-11)8-12-5-6-13-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine?
7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine has a molecular weight of 174.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,6-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 57263876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).