1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole

C17H21N — CID 174116280

IUPAC1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
SMILESC=Cc1c(C=C)n(CC(C)(C)C)c2ccccc12
InChIInChI=1S/C17H21N/c1-6-13-14-10-8-9-11-16(14)18(15(13)7-2)12-17(3,4)5/h6-11H,1-2,12H2,3-5H3
InChIKeyOPDMFECNMVETTE-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.97
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole

1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole (PubChem CID 174116280) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
PubChem CID174116280
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
SMILESC=Cc1c(C=C)n(CC(C)(C)C)c2ccccc12
InChIInChI=1S/C17H21N/c1-6-13-14-10-8-9-11-16(14)18(15(13)7-2)12-17(3,4)5/h6-11H,1-2,12H2,3-5H3
InChIKeyOPDMFECNMVETTE-UHFFFAOYSA-N
XLogP4.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,3-bis(ethenyl)indol-1-yl]-N,N-diethylethanamine
CID 143973355
2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
CID 166663898
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
2,3-bis(ethenyl)-1-[4-[2-[4-(3-ethenyl-2-methylindol-1-yl)phenyl]propan-2-yl]phenyl]indole
CID 143119204
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797
2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol
CID 143768939
2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
CID 143768937
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
6-bromo-2,3-bis(ethenyl)-1-ethylindole
CID 178034709
1-[2,3-bis(ethenyl)-1-methylindol-7-yl]-9-methylcarbazole
CID 145430239
1-ethenyl-9-ethylpyrido[3,4-b]indole
CID 169091277
3-ethenyl-9-(2-methylbutyl)carbazole
CID 69233320

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole?
The IUPAC name of 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole (CID 174116280) is 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole is C=Cc1c(C=C)n(CC(C)(C)C)c2ccccc12.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole?
The InChIKey is OPDMFECNMVETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-6-13-14-10-8-9-11-16(14)18(15(13)7-2)12-17(3,4)5/h6-11H,1-2,12H2,3-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole?
1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole has a molecular weight of 239.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole is sourced from PubChem (CID 174116280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).