2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium

C10H18N+ — CID 12770375

IUPAC2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCC1=CC=CC1
InChIInChI=1S/C10H18N/c1-11(2,3)9-8-10-6-4-5-7-10/h4-6H,7-9H2,1-3H3/q+1
InChIKeyTXNVSSPLZNWELW-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.97
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium

2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium (PubChem CID 12770375) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
PubChem CID12770375
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCC1=CC=CC1
InChIInChI=1S/C10H18N/c1-11(2,3)9-8-10-6-4-5-7-10/h4-6H,7-9H2,1-3H3/q+1
InChIKeyTXNVSSPLZNWELW-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.97
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 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium (CID 12770375) is 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium is C[N+](C)(C)CCC1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium?
The InChIKey is TXNVSSPLZNWELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-11(2,3)9-8-10-6-4-5-7-10/h4-6H,7-9H2,1-3H3/q+1.
What are the key properties of 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium?
2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium has a molecular weight of 152.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium is sourced from PubChem (CID 12770375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).