3,9-dimethyl-4-methylidenecarbazol-9-ium

C15H14N+ — CID 145105325

IUPAC3,9-dimethyl-4-methylidenecarbazol-9-ium
SMILESC=c1c(C)ccc2c1=c1ccccc1=[N+]2C
InChIInChI=1S/C15H14N/c1-10-8-9-14-15(11(10)2)12-6-4-5-7-13(12)16(14)3/h4-9H,2H2,1,3H3/q+1
InChIKeyTZOHHTJEZIJPER-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.46
Rot. Bonds

About 3,9-dimethyl-4-methylidenecarbazol-9-ium

3,9-dimethyl-4-methylidenecarbazol-9-ium (PubChem CID 145105325) has the molecular formula C15H14N+ and a molecular weight of 208.28 g/mol. Its IUPAC name is 3,9-dimethyl-4-methylidenecarbazol-9-ium.

Molecular Properties

Compound Name3,9-dimethyl-4-methylidenecarbazol-9-ium
PubChem CID145105325
Molecular FormulaC15H14N+
Molecular Weight208.28 g/mol
Exact Mass208.11
IUPAC Name3,9-dimethyl-4-methylidenecarbazol-9-ium
SMILESC=c1c(C)ccc2c1=c1ccccc1=[N+]2C
InChIInChI=1S/C15H14N/c1-10-8-9-14-15(11(10)2)12-6-4-5-7-13(12)16(14)3/h4-9H,2H2,1,3H3/q+1
InChIKeyTZOHHTJEZIJPER-UHFFFAOYSA-N
XLogP1.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-4-methylidenecarbazol-9-ium?
The IUPAC name of 3,9-dimethyl-4-methylidenecarbazol-9-ium (CID 145105325) is 3,9-dimethyl-4-methylidenecarbazol-9-ium.
What is the SMILES notation for 3,9-dimethyl-4-methylidenecarbazol-9-ium?
The canonical SMILES for 3,9-dimethyl-4-methylidenecarbazol-9-ium is C=c1c(C)ccc2c1=c1ccccc1=[N+]2C.
What is the InChIKey of 3,9-dimethyl-4-methylidenecarbazol-9-ium?
The InChIKey is TZOHHTJEZIJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N/c1-10-8-9-14-15(11(10)2)12-6-4-5-7-13(12)16(14)3/h4-9H,2H2,1,3H3/q+1.
What are the key properties of 3,9-dimethyl-4-methylidenecarbazol-9-ium?
3,9-dimethyl-4-methylidenecarbazol-9-ium has a molecular weight of 208.28 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-4-methylidenecarbazol-9-ium is sourced from PubChem (CID 145105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).