(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole

C14H17N — CID 142032346

IUPAC(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
SMILESC/C=C/C=C1/Nc2ccccc2C1(C)C
InChIInChI=1S/C14H17N/c1-4-5-10-13-14(2,3)11-8-6-7-9-12(11)15-13/h4-10,15H,1-3H3/b5-4+,13-10+
InChIKeyVZUWDTYWPVJKCY-VBJRVQAISA-N
MW199.30 g/mol
LogP3.85
Rot. Bonds1

About (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole

(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole (PubChem CID 142032346) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole.

Molecular Properties

Compound Name(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
PubChem CID142032346
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole
SMILESC/C=C/C=C1/Nc2ccccc2C1(C)C
InChIInChI=1S/C14H17N/c1-4-5-10-13-14(2,3)11-8-6-7-9-12(11)15-13/h4-10,15H,1-3H3/b5-4+,13-10+
InChIKeyVZUWDTYWPVJKCY-VBJRVQAISA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E,3E)-3-(3,3-dimethyl-1H-indol-2-ylidene)prop-1-enyl]-3,3-dimethylindole
CID 118988971
2-[(1E,3E,5E,7Z)-7-(3,3-dimethyl-1H-indol-2-ylidene)hepta-1,3,5-trienyl]-3,3-dimethylindole
CID 101116695
(1E,3E)-1,3-bis(3,3-dimethyl-1H-indol-2-ylidene)propan-2-one
CID 89469297
(2E)-2-[(2E)-2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-N-methylcyclohexan-1-imine
CID 174001765
2-[(Z)-(3,3-dimethyl-1H-indol-2-ylidene)methyl]-4,5-dihydro-1,3-thiazole
CID 58939442
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
1,4,4-trimethyl-9H-pyrrolo[2,3-b]quinoline
CID 155600048
1-chloro-9,9-dimethyl-10H-acridine
CID 151923654
4-(9,9-dimethyl-10H-acridin-4-yl)-9,9-dimethyl-10H-acridine
CID 122400307
4,4-dimethyl-9H-selenopheno[2,3-b]quinoline
CID 139035352
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1,2-dihydroindol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1H-indole
CID 89495973
N-[(2R,3Z)-1,1,1-trichloro-3-(3,3-dimethyl-1H-indol-2-ylidene)propan-2-yl]pyridin-1-ium-1-carboxamide
CID 98206938

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole?
The IUPAC name of (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole (CID 142032346) is (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole.
What is the SMILES notation for (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole?
The canonical SMILES for (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole is C/C=C/C=C1/Nc2ccccc2C1(C)C.
What is the InChIKey of (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole?
The InChIKey is VZUWDTYWPVJKCY-VBJRVQAISA-N. The full InChI is InChI=1S/C14H17N/c1-4-5-10-13-14(2,3)11-8-6-7-9-12(11)15-13/h4-10,15H,1-3H3/b5-4+,13-10+.
What are the key properties of (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole?
(2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole has a molecular weight of 199.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-but-2-enylidene]-3,3-dimethyl-1H-indole is sourced from PubChem (CID 142032346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).