2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole

C15H21N — CID 167042846

IUPAC2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)c1ccc2c(c1)CN(C(C)(C)C)C2
InChIInChI=1S/C15H21N/c1-11(2)12-6-7-13-9-16(15(3,4)5)10-14(13)8-12/h6-8H,1,9-10H2,2-5H3
InChIKeyMQDOHFGGIXBRAF-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.83
Rot. Bonds1

About 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole

2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole (PubChem CID 167042846) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole
PubChem CID167042846
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole
SMILESC=C(C)c1ccc2c(c1)CN(C(C)(C)C)C2
InChIInChI=1S/C15H21N/c1-11(2)12-6-7-13-9-16(15(3,4)5)10-14(13)8-12/h6-8H,1,9-10H2,2-5H3
InChIKeyMQDOHFGGIXBRAF-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
3,6-bis(prop-1-en-2-yl)-9H-fluorene
CID 91033866
2-tert-butyl-N-methyl-1,3-dihydroisoindol-5-amine
CID 117006207
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168
1-(2-tert-butyl-1,3-dihydroisoindol-5-yl)-N-methylmethanamine
CID 82163744
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
6-prop-1-en-2-yl-3H-indazole
CID 145472027
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
5-tert-butyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 164717001
2-methyl-7-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
CID 171522935
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
CID 89390221

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole?
The IUPAC name of 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole (CID 167042846) is 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole.
What is the SMILES notation for 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole?
The canonical SMILES for 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole is C=C(C)c1ccc2c(c1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole?
The InChIKey is MQDOHFGGIXBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)12-6-7-13-9-16(15(3,4)5)10-14(13)8-12/h6-8H,1,9-10H2,2-5H3.
What are the key properties of 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole?
2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole has a molecular weight of 215.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-prop-1-en-2-yl-1,3-dihydroisoindole is sourced from PubChem (CID 167042846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).