ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole

C15H21N — CID 158932732

IUPACethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole
SMILESCC.CC(C)=C(C)C1=NCc2ccccc21
InChIInChI=1S/C13H15N.C2H6/c1-9(2)10(3)13-12-7-5-4-6-11(12)8-14-13;1-2/h4-7H,8H2,1-3H3;1-2H3
InChIKeyJJGQNBPNGXNWRH-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.37
Rot. Bonds1

About ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole

ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole (PubChem CID 158932732) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole.

Molecular Properties

Compound Nameethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole
PubChem CID158932732
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Nameethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole
SMILESCC.CC(C)=C(C)C1=NCc2ccccc21
InChIInChI=1S/C13H15N.C2H6/c1-9(2)10(3)13-12-7-5-4-6-11(12)8-14-13;1-2/h4-7H,8H2,1-3H3;1-2H3
InChIKeyJJGQNBPNGXNWRH-UHFFFAOYSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1H-isoindole
CID 12518873
ethane;3-[(E)-prop-1-enyl]-1H-isoindole
CID 157348217
1-prop-1-en-2-yl-3,4-dihydroisoquinoline
CID 175704614
ethane;3-piperidin-4-yl-1H-isoindole
CID 91063171
(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
CID 135478442
5-methyl-3-phenyl-1H-2-benzazepine
CID 10633403
9,10-dihydrophenanthrene;ethane
CID 143759681
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
1-(3,4-dihydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 11241375
1H-isoquinolin-4-one
CID 19881266
ethyl 2-(3H-isoindol-1-yl)acetate
CID 159310117
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole?
The IUPAC name of ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole (CID 158932732) is ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole.
What is the SMILES notation for ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole?
The canonical SMILES for ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole is CC.CC(C)=C(C)C1=NCc2ccccc21.
What is the InChIKey of ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole?
The InChIKey is JJGQNBPNGXNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C2H6/c1-9(2)10(3)13-12-7-5-4-6-11(12)8-14-13;1-2/h4-7H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole?
ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole has a molecular weight of 215.34 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole is sourced from PubChem (CID 158932732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).