1,3,3-trimethyl-2-methylideneindole

C12H14N+ — CID 58330766

IUPAC1,3,3-trimethyl-2-methylideneindole
SMILES[H]/[C+]=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H14N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h1,5-8H,2-4H3/q+1
InChIKeyQFJGWUCUOFVJII-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.73
Rot. Bonds

About 1,3,3-trimethyl-2-methylideneindole

1,3,3-trimethyl-2-methylideneindole (PubChem CID 58330766) has the molecular formula C12H14N+ and a molecular weight of 172.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylideneindole
PubChem CID58330766
Molecular FormulaC12H14N+
Molecular Weight172.25 g/mol
Exact Mass172.11
IUPAC Name1,3,3-trimethyl-2-methylideneindole
SMILES[H]/[C+]=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H14N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h1,5-8H,2-4H3/q+1
InChIKeyQFJGWUCUOFVJII-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9,9,10-trimethylacridine
CID 610451
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520
(1E,3E)-1,3-bis(1,3,3-trimethylindol-2-ylidene)inden-2-one
CID 143781851
(2E)-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
CID 14170385
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
(9,9,10-trimethylacridin-2-yl)boronic acid
CID 161441175
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylideneindole?
The IUPAC name of 1,3,3-trimethyl-2-methylideneindole (CID 58330766) is 1,3,3-trimethyl-2-methylideneindole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylideneindole?
The canonical SMILES for 1,3,3-trimethyl-2-methylideneindole is [H]/[C+]=C1\N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylideneindole?
The InChIKey is QFJGWUCUOFVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h1,5-8H,2-4H3/q+1.
What are the key properties of 1,3,3-trimethyl-2-methylideneindole?
1,3,3-trimethyl-2-methylideneindole has a molecular weight of 172.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylideneindole is sourced from PubChem (CID 58330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).