1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide

C18H24N2-2 — CID 170733205

IUPAC1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide
SMILESCc1c[c-](C)cc(C)c1=[N+]1[CH-]C=[N+](C2CCCC2)[CH-][CH-]1
InChIInChI=1S/C18H24N2/c1-14-12-15(2)18(16(3)13-14)20-10-8-19(9-11-20)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/q-2
InChIKeyRUGFTTYCHRCVEA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds1

About 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide

1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide (PubChem CID 170733205) has the molecular formula C18H24N2-2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide.

Molecular Properties

Compound Name1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide
PubChem CID170733205
Molecular FormulaC18H24N2-2
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide
SMILESCc1c[c-](C)cc(C)c1=[N+]1[CH-]C=[N+](C2CCCC2)[CH-][CH-]1
InChIInChI=1S/C18H24N2/c1-14-12-15(2)18(16(3)13-14)20-10-8-19(9-11-20)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/q-2
InChIKeyRUGFTTYCHRCVEA-UHFFFAOYSA-N
XLogP2.63
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,3-Dihydropyridin-4-yl)ethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 91807105
(Z)-N,4-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)hept-4-en-3-imine
CID 144144902
1-cyclohexyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide
CID 170733202

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide?
The IUPAC name of 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide (CID 170733205) is 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide.
What is the SMILES notation for 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide?
The canonical SMILES for 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide is Cc1c[c-](C)cc(C)c1=[N+]1[CH-]C=[N+](C2CCCC2)[CH-][CH-]1.
What is the InChIKey of 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide?
The InChIKey is RUGFTTYCHRCVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-12-15(2)18(16(3)13-14)20-10-8-19(9-11-20)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3/q-2.
What are the key properties of 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide?
1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide has a molecular weight of 268.40 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2,4,6-trimethylcyclohexa-2,5-dien-1-ylidene)-3,5-dihydro-2H-pyrazine-1,4-diium-2,3,5-triide is sourced from PubChem (CID 170733205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).