2,2-bis(prop-2-ynyl)indene-1,3-dione

C15H10O2 — CID 4134651

IUPAC2,2-bis(prop-2-ynyl)indene-1,3-dione
SMILESC#CCC1(CC#C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H10O2/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(15)17/h1-2,5-8H,9-10H2
InChIKeyDIEBKZFEMFDORU-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.10
Rot. Bonds2

About 2,2-bis(prop-2-ynyl)indene-1,3-dione

2,2-bis(prop-2-ynyl)indene-1,3-dione (PubChem CID 4134651) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,2-bis(prop-2-ynyl)indene-1,3-dione.

Molecular Properties

Compound Name2,2-bis(prop-2-ynyl)indene-1,3-dione
PubChem CID4134651
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name2,2-bis(prop-2-ynyl)indene-1,3-dione
SMILESC#CCC1(CC#C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H10O2/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(15)17/h1-2,5-8H,9-10H2
InChIKeyDIEBKZFEMFDORU-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-ynyl)indene-1,3-dione?
The IUPAC name of 2,2-bis(prop-2-ynyl)indene-1,3-dione (CID 4134651) is 2,2-bis(prop-2-ynyl)indene-1,3-dione.
What is the SMILES notation for 2,2-bis(prop-2-ynyl)indene-1,3-dione?
The canonical SMILES for 2,2-bis(prop-2-ynyl)indene-1,3-dione is C#CCC1(CC#C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,2-bis(prop-2-ynyl)indene-1,3-dione?
The InChIKey is DIEBKZFEMFDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14(15)17/h1-2,5-8H,9-10H2.
What are the key properties of 2,2-bis(prop-2-ynyl)indene-1,3-dione?
2,2-bis(prop-2-ynyl)indene-1,3-dione has a molecular weight of 222.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-ynyl)indene-1,3-dione is sourced from PubChem (CID 4134651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).