1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate

C18H18ClNO4 — CID 10760094

IUPAC1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate
SMILESCC1=[N+](C)c2ccccc2C12Cc1ccccc1C2.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H18N.ClHO4/c1-13-18(11-14-7-3-4-8-15(14)12-18)16-9-5-6-10-17(16)19(13)2;2-1(3,4)5/h3-10H,11-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyVARMVKKPNABTQZ-UHFFFAOYSA-M
MW347.80 g/mol
LogP-1.28
Rot. Bonds

About 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate

1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate (PubChem CID 10760094) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate.

Molecular Properties

Compound Name1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate
PubChem CID10760094
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate
SMILESCC1=[N+](C)c2ccccc2C12Cc1ccccc1C2.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H18N.ClHO4/c1-13-18(11-14-7-3-4-8-15(14)12-18)16-9-5-6-10-17(16)19(13)2;2-1(3,4)5/h3-10H,11-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyVARMVKKPNABTQZ-UHFFFAOYSA-M
XLogP-1.28
TPSA95.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
tetrakis(fluoro(dioxido)borane);octakis(1,2,3,3-tetramethylindol-1-ium)
CID 173139340
2-ethyl-1,3,3-trimethylindol-1-ium perchlorate
CID 10613301
1,2,3,3,5-pentamethylindol-1-ium perchlorate
CID 15256919
3,3-dibenzyl-1,2-dimethylindol-1-ium bromide
CID 67387208
4,5-dimethyl-1,3-dihydro-1,5-benzodiazepin-5-ium-2-one perchlorate
CID 21240506
6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
5'-bromo-1',2'-dimethylspiro[cyclohexane-1,3'-indol-1-ium]
CID 11728918
2,3,3-trimethyl-1-propan-2-ylindol-1-ium
CID 1390106
2-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium perchlorate
CID 158630130
1,3,3-trimethylindol-1-ium-2-amine
CID 11346035
2-N'-methyl-1,3-dihydroindene-2,2-diamine
CID 143105320

Frequently Asked Questions

What is the IUPAC name of 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate?
The IUPAC name of 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate (CID 10760094) is 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate.
What is the SMILES notation for 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate?
The canonical SMILES for 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate is CC1=[N+](C)c2ccccc2C12Cc1ccccc1C2.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate?
The InChIKey is VARMVKKPNABTQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N.ClHO4/c1-13-18(11-14-7-3-4-8-15(14)12-18)16-9-5-6-10-17(16)19(13)2;2-1(3,4)5/h3-10H,11-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate?
1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate has a molecular weight of 347.80 g/mol, XLogP of -1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2'-dimethylspiro[1,3-dihydroindene-2,3'-indol-1-ium] perchlorate is sourced from PubChem (CID 10760094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).