benzene;2,3-dihydro-1H-isoindole

C14H15N — CID 161490745

IUPACbenzene;2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2.c1ccccc1
InChIInChI=1S/C8H9N.C6H6/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-6-5-3-1/h1-4,9H,5-6H2;1-6H
InChIKeyWFONXEBMXFXCAZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.98
Rot. Bonds

About benzene;2,3-dihydro-1H-isoindole

benzene;2,3-dihydro-1H-isoindole (PubChem CID 161490745) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is benzene;2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1H-isoindole
PubChem CID161490745
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Namebenzene;2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2.c1ccccc1
InChIInChI=1S/C8H9N.C6H6/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-6-5-3-1/h1-4,9H,5-6H2;1-6H
InChIKeyWFONXEBMXFXCAZ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2,3-dihydro-1H-isoindole
CID 23342931
2,3-dihydro-1H-isoindole;molecular hydrogen
CID 144672550
2,3-dihydro-1H-isoindole;propane
CID 143664117
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
CID 158445825
5-phenyl-2,3-dihydro-1H-isoindole
CID 19691969
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
CID 159287838
azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 84720759

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1H-isoindole?
The IUPAC name of benzene;2,3-dihydro-1H-isoindole (CID 161490745) is benzene;2,3-dihydro-1H-isoindole.
What is the SMILES notation for benzene;2,3-dihydro-1H-isoindole?
The canonical SMILES for benzene;2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2.c1ccccc1.
What is the InChIKey of benzene;2,3-dihydro-1H-isoindole?
The InChIKey is WFONXEBMXFXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H6/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-6-5-3-1/h1-4,9H,5-6H2;1-6H.
What are the key properties of benzene;2,3-dihydro-1H-isoindole?
benzene;2,3-dihydro-1H-isoindole has a molecular weight of 197.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1H-isoindole is sourced from PubChem (CID 161490745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).