1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine

C12H16N2 — CID 59363895

IUPAC1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine
SMILESCC(C)C1=NNCCc2ccccc21
InChIInChI=1S/C12H16N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-14-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQJGOZLOCBZYPTF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.19
Rot. Bonds1

About 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine

1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine (PubChem CID 59363895) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine
PubChem CID59363895
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine
SMILESCC(C)C1=NNCCc2ccccc21
InChIInChI=1S/C12H16N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-14-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQJGOZLOCBZYPTF-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-2,3-benzodiazepine
CID 175304441
9,10-dihydrophenanthrene;ethane
CID 143759681
4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
CID 118587446
1-(1-methoxypropyl)-3,4-dihydroisoquinoline
CID 102300239
1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 66868044
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
(E)-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine
CID 11652410
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
4,5-dihydro-1H-pyrazol-3-yl(triphenyl)phosphanium;hydrobromide
CID 126959573
dichloromethane;3,4-dihydro-2H-isoquinolin-1-one;ethane
CID 91339125

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine?
The IUPAC name of 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine (CID 59363895) is 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine.
What is the SMILES notation for 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine?
The canonical SMILES for 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine is CC(C)C1=NNCCc2ccccc21.
What is the InChIKey of 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine?
The InChIKey is QJGOZLOCBZYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-14-12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine?
1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine has a molecular weight of 188.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dihydro-3H-2,3-benzodiazepine is sourced from PubChem (CID 59363895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).