methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium

C12H20N+ — CID 162132341

IUPACmethane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESC.CC1=C(C)[N+]2=C(C=CCC2C)C1
InChIInChI=1S/C11H16N.CH4/c1-8-7-11-6-4-5-9(2)12(11)10(8)3;/h4,6,9H,5,7H2,1-3H3;1H4/q+1;
InChIKeyDLWLBMUNFMSOPU-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.12
Rot. Bonds

About methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium

methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium (PubChem CID 162132341) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium.

Molecular Properties

Compound Namemethane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
PubChem CID162132341
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Namemethane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium
SMILESC.CC1=C(C)[N+]2=C(C=CCC2C)C1
InChIInChI=1S/C11H16N.CH4/c1-8-7-11-6-4-5-9(2)12(11)10(8)3;/h4,6,9H,5,7H2,1-3H3;1H4/q+1;
InChIKeyDLWLBMUNFMSOPU-UHFFFAOYSA-N
XLogP3.12
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.12
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 methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The IUPAC name of methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium (CID 162132341) is methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium.
What is the SMILES notation for methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The canonical SMILES for methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium is C.CC1=C(C)[N+]2=C(C=CCC2C)C1.
What is the InChIKey of methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
The InChIKey is DLWLBMUNFMSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.CH4/c1-8-7-11-6-4-5-9(2)12(11)10(8)3;/h4,6,9H,5,7H2,1-3H3;1H4/q+1;.
What are the key properties of methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium?
methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium has a molecular weight of 178.30 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,5-trimethyl-5,6-dihydro-1H-indolizin-4-ium is sourced from PubChem (CID 162132341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).