1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole

C17H20N2 — CID 163422251

IUPAC1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole
SMILESCN1c2ccccc2C(C)(C)C1C=Cc1ccc[nH]1
InChIInChI=1S/C17H20N2/c1-17(2)14-8-4-5-9-15(14)19(3)16(17)11-10-13-7-6-12-18-13/h4-12,16,18H,1-3H3
InChIKeyAJKWYWOVPGBZLT-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.82
Rot. Bonds2

About 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole

1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole (PubChem CID 163422251) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole
PubChem CID163422251
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole
SMILESCN1c2ccccc2C(C)(C)C1C=Cc1ccc[nH]1
InChIInChI=1S/C17H20N2/c1-17(2)14-8-4-5-9-15(14)19(3)16(17)11-10-13-7-6-12-18-13/h4-12,16,18H,1-3H3
InChIKeyAJKWYWOVPGBZLT-UHFFFAOYSA-N
XLogP3.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole
CID 20735751
1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 3019148
1,3,3-trimethyl-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 6365835
4-[4-[2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]phenyl]morpholine;hydrochloride
CID 173459830
1,3,3-trimethyl-2-[(E)-2-(2-methyl-2,3-dihydroindol-1-yl)ethenyl]-2H-indole;hydroiodide
CID 173386636
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
(2Z)-2-[(2Z)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
CID 87080259
2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
CID 90956813
dimethyl(phenyl)azanium;1,2,3,3-tetramethyl-2H-indole;iodide
CID 161089434
sulfuric acid;1,2,3,3-tetramethyl-2H-indole
CID 69432557
2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole
CID 146415566
(2E)-1,3,3-trimethyl-2-[(2E)-2-[2-thiopyran-1-yl-3-[(E)-2-(1,3,3-trimethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole
CID 143564566

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole?
The IUPAC name of 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole (CID 163422251) is 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole.
What is the SMILES notation for 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole?
The canonical SMILES for 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole is CN1c2ccccc2C(C)(C)C1C=Cc1ccc[nH]1.
What is the InChIKey of 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole?
The InChIKey is AJKWYWOVPGBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2)14-8-4-5-9-15(14)19(3)16(17)11-10-13-7-6-12-18-13/h4-12,16,18H,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole?
1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole has a molecular weight of 252.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-2H-indole is sourced from PubChem (CID 163422251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).