1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole

C14H19N — CID 84733856

IUPAC1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2C1CCCC1
InChIInChI=1S/C14H19N/c1-10-6-7-13-12(8-10)9-15-14(13)11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyYAIQDCQPQMTKBB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.33
Rot. Bonds1

About 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole

1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole (PubChem CID 84733856) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
PubChem CID84733856
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)CNC2C1CCCC1
InChIInChI=1S/C14H19N/c1-10-6-7-13-12(8-10)9-15-14(13)11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3
InChIKeyYAIQDCQPQMTKBB-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
CID 84736095
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 70658369
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
3-(2,4-dimethylphenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364353
(5R)-5-cyclohexyl-3-[(2,5-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 2662586
4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
CID 83261375
2-(2,4-dimethylphenyl)pyrrolidin-3-ol
CID 82403233
6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
(4S,9S,19S,24S,34S,39S)-14,29,44-trimethyl-3,10,18,25,33,40-hexazaheptacyclo[40.3.1.112,16.127,31.04,9.019,24.034,39]octatetraconta-1(45),12,14,16(48),27(47),28,30,42(46),43-nonaene-46,47,48-triol
CID 102285175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole (CID 84733856) is 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)CNC2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is YAIQDCQPQMTKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-6-7-13-12(8-10)9-15-14(13)11-4-2-3-5-11/h6-8,11,14-15H,2-5,9H2,1H3.
What are the key properties of 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole?
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 201.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84733856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).