1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium

C12H13O+ — CID 102067640

IUPAC1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium
SMILESC=CC/[O+]=C1\C=CC=C2CCC=C21
InChIInChI=1S/C12H13O/c1-2-9-13-12-8-4-6-10-5-3-7-11(10)12/h2,4,6-8H,1,3,5,9H2/q+1
InChIKeyCQBABYZUDWBDFS-UHFFFAOYSA-N
MW173.23 g/mol
LogP2.49
Rot. Bonds2

About 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium

1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium (PubChem CID 102067640) has the molecular formula C12H13O+ and a molecular weight of 173.23 g/mol. Its IUPAC name is 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium.

Molecular Properties

Compound Name1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium
PubChem CID102067640
Molecular FormulaC12H13O+
Molecular Weight173.23 g/mol
Exact Mass173.10
IUPAC Name1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium
SMILESC=CC/[O+]=C1\C=CC=C2CCC=C21
InChIInChI=1S/C12H13O/c1-2-9-13-12-8-4-6-10-5-3-7-11(10)12/h2,4,6-8H,1,3,5,9H2/q+1
InChIKeyCQBABYZUDWBDFS-UHFFFAOYSA-N
XLogP2.49
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium?
The IUPAC name of 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium (CID 102067640) is 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium.
What is the SMILES notation for 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium?
The canonical SMILES for 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium is C=CC/[O+]=C1\C=CC=C2CCC=C21.
What is the InChIKey of 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium?
The InChIKey is CQBABYZUDWBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O/c1-2-9-13-12-8-4-6-10-5-3-7-11(10)12/h2,4,6-8H,1,3,5,9H2/q+1.
What are the key properties of 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium?
1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium has a molecular weight of 173.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroinden-4-ylidene(prop-2-enyl)oxidanium is sourced from PubChem (CID 102067640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).