5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole

C15H19N — CID 156709739

IUPAC5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole
SMILESC=Cc1cc2c(cc1C=C)CN(C(C)C)C2
InChIInChI=1S/C15H19N/c1-5-12-7-14-9-16(11(3)4)10-15(14)8-13(12)6-2/h5-8,11H,1-2,9-10H2,3-4H3
InChIKeyMBKSHQDBTIQFID-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.70
Rot. Bonds3

About 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole

5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole (PubChem CID 156709739) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole
PubChem CID156709739
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole
SMILESC=Cc1cc2c(cc1C=C)CN(C(C)C)C2
InChIInChI=1S/C15H19N/c1-5-12-7-14-9-16(11(3)4)10-15(14)8-13(12)6-2/h5-8,11H,1-2,9-10H2,3-4H3
InChIKeyMBKSHQDBTIQFID-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carbonitrile
CID 155230421
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83836841
1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
CID 117333060
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459877
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
CID 112540836
8-isocyano-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 168757373
1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indole-3-carbonitrile
CID 112540821
3,5-di(propan-2-yl)-4,6-dihydrothieno[3,4-c]pyrrole
CID 176640371

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole?
The IUPAC name of 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole (CID 156709739) is 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole.
What is the SMILES notation for 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole?
The canonical SMILES for 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole is C=Cc1cc2c(cc1C=C)CN(C(C)C)C2.
What is the InChIKey of 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole?
The InChIKey is MBKSHQDBTIQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-5-12-7-14-9-16(11(3)4)10-15(14)8-13(12)6-2/h5-8,11H,1-2,9-10H2,3-4H3.
What are the key properties of 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole?
5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole has a molecular weight of 213.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-2-propan-2-yl-1,3-dihydroisoindole is sourced from PubChem (CID 156709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).