5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole

C11H17N — CID 58394682

IUPAC5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
SMILESCC(C)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C11H17N/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h7-9H,3-6H2,1-2H3
InChIKeyFPVWXSCUVZZELE-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds1

About 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole

5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole (PubChem CID 58394682) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
PubChem CID58394682
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
SMILESCC(C)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C11H17N/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h7-9H,3-6H2,1-2H3
InChIKeyFPVWXSCUVZZELE-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 20604071
5-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
CID 58394762
7-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
CID 67124117
4-ethyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89509274
1-(5-ethyl-2-methylcyclohexen-1-yl)-N-propylmethanimine
CID 89623742
9,12-Dimethyl-10-azabicyclo[6.4.1]trideca-1(12),10-diene
CID 90701112
5-Methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
CID 123369350
3-Ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123632856
5-Tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole
CID 129061175
(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
CID 130337306
4,7-Di(propan-2-yl)-3,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
CID 158002641
5-Methylidene-1-propan-2-yl-1,4,6,7-tetrahydroisoindole
CID 163918404

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole?
The IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole (CID 58394682) is 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole.
What is the SMILES notation for 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole?
The canonical SMILES for 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole is CC(C)C1CCC2=C(C=NC2)C1.
What is the InChIKey of 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole?
The InChIKey is FPVWXSCUVZZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)9-3-4-10-6-12-7-11(10)5-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole?
5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole is sourced from PubChem (CID 58394682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).