5,7-dimethyl-4H-indolizin-4-ium perchlorate

C10H12ClNO4 — CID 134908373

IUPAC5,7-dimethyl-4H-indolizin-4-ium perchlorate
SMILESCC1=CC2=CC=C[NH+]2C(C)=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H11N.ClHO4/c1-8-6-9(2)11-5-3-4-10(11)7-8;2-1(3,4)5/h3-7H,1-2H3;(H,2,3,4,5)
InChIKeyMCKFGHAGVHIUBJ-UHFFFAOYSA-N
MW245.66 g/mol
LogP-3.61
Rot. Bonds

About 5,7-dimethyl-4H-indolizin-4-ium perchlorate

5,7-dimethyl-4H-indolizin-4-ium perchlorate (PubChem CID 134908373) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 5,7-dimethyl-4H-indolizin-4-ium perchlorate.

Molecular Properties

Compound Name5,7-dimethyl-4H-indolizin-4-ium perchlorate
PubChem CID134908373
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name5,7-dimethyl-4H-indolizin-4-ium perchlorate
SMILESCC1=CC2=CC=C[NH+]2C(C)=C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H11N.ClHO4/c1-8-6-9(2)11-5-3-4-10(11)7-8;2-1(3,4)5/h3-7H,1-2H3;(H,2,3,4,5)
InChIKeyMCKFGHAGVHIUBJ-UHFFFAOYSA-N
XLogP-3.61
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 5-3.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4H-indolizin-4-ium perchlorate?
The IUPAC name of 5,7-dimethyl-4H-indolizin-4-ium perchlorate (CID 134908373) is 5,7-dimethyl-4H-indolizin-4-ium perchlorate.
What is the SMILES notation for 5,7-dimethyl-4H-indolizin-4-ium perchlorate?
The canonical SMILES for 5,7-dimethyl-4H-indolizin-4-ium perchlorate is CC1=CC2=CC=C[NH+]2C(C)=C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 5,7-dimethyl-4H-indolizin-4-ium perchlorate?
The InChIKey is MCKFGHAGVHIUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.ClHO4/c1-8-6-9(2)11-5-3-4-10(11)7-8;2-1(3,4)5/h3-7H,1-2H3;(H,2,3,4,5).
What are the key properties of 5,7-dimethyl-4H-indolizin-4-ium perchlorate?
5,7-dimethyl-4H-indolizin-4-ium perchlorate has a molecular weight of 245.66 g/mol, XLogP of -3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4H-indolizin-4-ium perchlorate is sourced from PubChem (CID 134908373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).