CID 58528208

C7H7K — CID 58528208

IUPAC—
SMILES[C-]1=CC2C=CC1C2.[K+]
InChIInChI=1S/C7H7.K/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1
InChIKeyYQEZUQWQEHNGJO-UHFFFAOYSA-N
MW130.23 g/mol
LogP-1.44
Rot. Bonds

About CID 58528208

CID 58528208 (PubChem CID 58528208) has the molecular formula C7H7K and a molecular weight of 130.23 g/mol.

Molecular Properties

Compound NameCID 58528208
PubChem CID58528208
Molecular FormulaC7H7K
Molecular Weight130.23 g/mol
Exact Mass130.02
IUPAC Name—
SMILES[C-]1=CC2C=CC1C2.[K+]
InChIInChI=1S/C7H7.K/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1
InChIKeyYQEZUQWQEHNGJO-UHFFFAOYSA-N
XLogP-1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Norbornadiene
CID 8473
Cyclopentene, 3-ethenyl-
CID 556303
Bicyclo(2.2.1)hepta-2,5-diene, 7-methylene-
CID 142215
Lithium bicyclo[2.2.1]hepta-2,5-dien-7-ide
CID 12644165
2,3-Di-fluorobicyclo[2.2.1]hepta-2,5-diene
CID 15129214
CID 85728166
CID 85728166
(-)-(r)-3-Vinylcyclopenten
CID 97546577
2-Fluorobicyclo[2.2.1]hepta-2,5-diene
CID 21469890
7-Fluorobicyclo[2.2.1]hepta-2,5-diene
CID 22241962
1-Fluorobicyclo[2.2.1]hepta-2,5-diene
CID 139664036
CID 13030526
CID 13030526
Magnesanorbornene
CID 129741884

Frequently Asked Questions

What is the IUPAC name of CID 58528208?
The IUPAC name of CID 58528208 (CID 58528208) is not available.
What is the SMILES notation for CID 58528208?
The canonical SMILES for CID 58528208 is [C-]1=CC2C=CC1C2.[K+].
What is the InChIKey of CID 58528208?
The InChIKey is YQEZUQWQEHNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.K/c1-2-7-4-3-6(1)5-7;/h1-3,6-7H,5H2;/q-1;+1.
What are the key properties of CID 58528208?
CID 58528208 has a molecular weight of 130.23 g/mol, XLogP of -1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58528208 is sourced from PubChem (CID 58528208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).