potassium 2-cyclopenta-2,4-dien-1-ylethanamine

C7H10KN — CID 130018757

IUPACpotassium 2-cyclopenta-2,4-dien-1-ylethanamine
SMILESNCC[c-]1cccc1.[K+]
InChIInChI=1S/C7H10N.K/c8-6-5-7-3-1-2-4-7;/h1-4H,5-6,8H2;/q-1;+1
InChIKeyVKUVLNCGFIPDGB-UHFFFAOYSA-N
MW147.26 g/mol
LogP-2.09
Rot. Bonds2

About potassium 2-cyclopenta-2,4-dien-1-ylethanamine

potassium 2-cyclopenta-2,4-dien-1-ylethanamine (PubChem CID 130018757) has the molecular formula C7H10KN and a molecular weight of 147.26 g/mol. Its IUPAC name is potassium 2-cyclopenta-2,4-dien-1-ylethanamine.

Molecular Properties

Compound Namepotassium 2-cyclopenta-2,4-dien-1-ylethanamine
PubChem CID130018757
Molecular FormulaC7H10KN
Molecular Weight147.26 g/mol
Exact Mass147.05
IUPAC Namepotassium 2-cyclopenta-2,4-dien-1-ylethanamine
SMILESNCC[c-]1cccc1.[K+]
InChIInChI=1S/C7H10N.K/c8-6-5-7-3-1-2-4-7;/h1-4H,5-6,8H2;/q-1;+1
InChIKeyVKUVLNCGFIPDGB-UHFFFAOYSA-N
XLogP-2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-cyclopenta-2,4-dien-1-ylethanamine?
The IUPAC name of potassium 2-cyclopenta-2,4-dien-1-ylethanamine (CID 130018757) is potassium 2-cyclopenta-2,4-dien-1-ylethanamine.
What is the SMILES notation for potassium 2-cyclopenta-2,4-dien-1-ylethanamine?
The canonical SMILES for potassium 2-cyclopenta-2,4-dien-1-ylethanamine is NCC[c-]1cccc1.[K+].
What is the InChIKey of potassium 2-cyclopenta-2,4-dien-1-ylethanamine?
The InChIKey is VKUVLNCGFIPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.K/c8-6-5-7-3-1-2-4-7;/h1-4H,5-6,8H2;/q-1;+1.
What are the key properties of potassium 2-cyclopenta-2,4-dien-1-ylethanamine?
potassium 2-cyclopenta-2,4-dien-1-ylethanamine has a molecular weight of 147.26 g/mol, XLogP of -2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-cyclopenta-2,4-dien-1-ylethanamine is sourced from PubChem (CID 130018757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).