3-methyl-4,5-dihydro-2,3-benzodiazepine

C10H12N2 — CID 53232186

IUPAC3-methyl-4,5-dihydro-2,3-benzodiazepine
SMILESCN1CCc2ccccc2C=N1
InChIInChI=1S/C10H12N2/c1-12-7-6-9-4-2-3-5-10(9)8-11-12/h2-5,8H,6-7H2,1H3
InChIKeyYGCBNKFTEOXRLQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.51
Rot. Bonds

About 3-methyl-4,5-dihydro-2,3-benzodiazepine

3-methyl-4,5-dihydro-2,3-benzodiazepine (PubChem CID 53232186) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-2,3-benzodiazepine.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-2,3-benzodiazepine
PubChem CID53232186
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-4,5-dihydro-2,3-benzodiazepine
SMILESCN1CCc2ccccc2C=N1
InChIInChI=1S/C10H12N2/c1-12-7-6-9-4-2-3-5-10(9)8-11-12/h2-5,8H,6-7H2,1H3
InChIKeyYGCBNKFTEOXRLQ-UHFFFAOYSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methane;2-methyl-3,4-dihydro-1H-isoquinoline
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2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
2-(3-methylphenyl)-1H-phthalazine
CID 71560617
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CID 90790076
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CID 54095235
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-2,3-benzodiazepine?
The IUPAC name of 3-methyl-4,5-dihydro-2,3-benzodiazepine (CID 53232186) is 3-methyl-4,5-dihydro-2,3-benzodiazepine.
What is the SMILES notation for 3-methyl-4,5-dihydro-2,3-benzodiazepine?
The canonical SMILES for 3-methyl-4,5-dihydro-2,3-benzodiazepine is CN1CCc2ccccc2C=N1.
What is the InChIKey of 3-methyl-4,5-dihydro-2,3-benzodiazepine?
The InChIKey is YGCBNKFTEOXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-7-6-9-4-2-3-5-10(9)8-11-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-2,3-benzodiazepine?
3-methyl-4,5-dihydro-2,3-benzodiazepine has a molecular weight of 160.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-2,3-benzodiazepine is sourced from PubChem (CID 53232186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).