1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium

C10H18N+ — CID 89408035

IUPAC1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium
SMILESCC1=C[N+]2(C)CCC(C)C2C1
InChIInChI=1S/C10H18N/c1-8-6-10-9(2)4-5-11(10,3)7-8/h7,9-10H,4-6H2,1-3H3/q+1
InChIKeyNRZRMEXPNFXMOQ-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.15
Rot. Bonds

About 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium

1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium (PubChem CID 89408035) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium.

Molecular Properties

Compound Name1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium
PubChem CID89408035
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium
SMILESCC1=C[N+]2(C)CCC(C)C2C1
InChIInChI=1S/C10H18N/c1-8-6-10-9(2)4-5-11(10,3)7-8/h7,9-10H,4-6H2,1-3H3/q+1
InChIKeyNRZRMEXPNFXMOQ-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium?
The IUPAC name of 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium (CID 89408035) is 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium.
What is the SMILES notation for 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium?
The canonical SMILES for 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium is CC1=C[N+]2(C)CCC(C)C2C1.
What is the InChIKey of 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium?
The InChIKey is NRZRMEXPNFXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-8-6-10-9(2)4-5-11(10,3)7-8/h7,9-10H,4-6H2,1-3H3/q+1.
What are the key properties of 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium?
1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium has a molecular weight of 152.26 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium is sourced from PubChem (CID 89408035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).