5-chloro-1-propyl-2,3-dihydro-1H-isoindole

C11H14ClN — CID 84733322

IUPAC5-chloro-1-propyl-2,3-dihydro-1H-isoindole
SMILESCCCC1NCc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN/c1-2-3-11-10-5-4-9(12)6-8(10)7-13-11/h4-6,11,13H,2-3,7H2,1H3
InChIKeyWGKGERSAAPXZSC-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-1-propyl-2,3-dihydro-1H-isoindole

5-chloro-1-propyl-2,3-dihydro-1H-isoindole (PubChem CID 84733322) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 5-chloro-1-propyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-chloro-1-propyl-2,3-dihydro-1H-isoindole
PubChem CID84733322
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name5-chloro-1-propyl-2,3-dihydro-1H-isoindole
SMILESCCCC1NCc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClN/c1-2-3-11-10-5-4-9(12)6-8(10)7-13-11/h4-6,11,13H,2-3,7H2,1H3
InChIKeyWGKGERSAAPXZSC-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130987856
N-[(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482674
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-ethyl-2,3-dihydro-1H-isoindole-5,6-diol
CID 22166036
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281
1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
CID 153364867
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720668
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
6-chloro-2,3-dihydro-1H-isoindol-1-amine
CID 145207105
7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 62373433

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-chloro-1-propyl-2,3-dihydro-1H-isoindole (CID 84733322) is 5-chloro-1-propyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-chloro-1-propyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-chloro-1-propyl-2,3-dihydro-1H-isoindole is CCCC1NCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-propyl-2,3-dihydro-1H-isoindole?
The InChIKey is WGKGERSAAPXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-3-11-10-5-4-9(12)6-8(10)7-13-11/h4-6,11,13H,2-3,7H2,1H3.
What are the key properties of 5-chloro-1-propyl-2,3-dihydro-1H-isoindole?
5-chloro-1-propyl-2,3-dihydro-1H-isoindole has a molecular weight of 195.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84733322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).