dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate

C15H21ClN2O4 — CID 73448945

IUPACdimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
SMILESCN1C(=CC=[N+](C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H21N2.ClHO4/c1-15(2)12-8-6-7-9-13(12)17(5)14(15)10-11-16(3)4;2-1(3,4)5/h6-11H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWUFTZXHXAIPQRY-UHFFFAOYSA-M
MW328.80 g/mol
LogP-2.12
Rot. Bonds1

About dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate

dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate (PubChem CID 73448945) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate.

Molecular Properties

Compound Namedimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
PubChem CID73448945
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namedimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
SMILESCN1C(=CC=[N+](C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H21N2.ClHO4/c1-15(2)12-8-6-7-9-13(12)17(5)14(15)10-11-16(3)4;2-1(3,4)5/h6-11H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWUFTZXHXAIPQRY-UHFFFAOYSA-M
XLogP-2.12
TPSA98.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
CID 2770749
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
dimethyl-[2-[1-methyl-3,3-bis(2-methylpropyl)indol-2-ylidene]ethylidene]azanium
CID 173352351
(4-methoxyphenyl)-methyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 72728773
[(2E)-2-(1-cyclopentyl-3,3-dimethylindol-2-ylidene)ethylidene]-dimethylazanium
CID 59004899
1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole perchlorate
CID 73437227
(E,1E,5E)-1,5-bis(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one
CID 44669507
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
CID 15508580
9,9,10-trimethylacridine
CID 610451
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
diphenyl-[(2E,5E)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 76844547

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate?
The IUPAC name of dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate (CID 73448945) is dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate.
What is the SMILES notation for dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate?
The canonical SMILES for dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate is CN1C(=CC=[N+](C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate?
The InChIKey is WUFTZXHXAIPQRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N2.ClHO4/c1-15(2)12-8-6-7-9-13(12)17(5)14(15)10-11-16(3)4;2-1(3,4)5/h6-11H,1-5H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate?
dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate has a molecular weight of 328.80 g/mol, XLogP of -2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate is sourced from PubChem (CID 73448945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).