1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine

C11H14N2 — CID 59165034

IUPAC1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine
SMILESCC1=NN(C)c2ccccc2CC1
InChIInChI=1S/C11H14N2/c1-9-7-8-10-5-3-4-6-11(10)13(2)12-9/h3-6H,7-8H2,1-2H3
InChIKeyDRQWKXSNEOCCRN-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.44
Rot. Bonds

About 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine

1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine (PubChem CID 59165034) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine.

Molecular Properties

Compound Name1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine
PubChem CID59165034
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine
SMILESCC1=NN(C)c2ccccc2CC1
InChIInChI=1S/C11H14N2/c1-9-7-8-10-5-3-4-6-11(10)13(2)12-9/h3-6H,7-8H2,1-2H3
InChIKeyDRQWKXSNEOCCRN-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine?
The IUPAC name of 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine (CID 59165034) is 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine.
What is the SMILES notation for 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine?
The canonical SMILES for 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine is CC1=NN(C)c2ccccc2CC1.
What is the InChIKey of 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine?
The InChIKey is DRQWKXSNEOCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-7-8-10-5-3-4-6-11(10)13(2)12-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine?
1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine has a molecular weight of 174.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-dihydro-1,2-benzodiazepine is sourced from PubChem (CID 59165034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).