di(cyclopent-3-en-1-yl)methanone

C11H14O — CID 172856015

IUPACdi(cyclopent-3-en-1-yl)methanone
SMILESO=C(C1CC=CC1)C1CC=CC1
InChIInChI=1S/C11H14O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-4,9-10H,5-8H2
InChIKeyYSGXFUUMCJUVGQ-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds2

About di(cyclopent-3-en-1-yl)methanone

di(cyclopent-3-en-1-yl)methanone (PubChem CID 172856015) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is di(cyclopent-3-en-1-yl)methanone.

Molecular Properties

Compound Namedi(cyclopent-3-en-1-yl)methanone
PubChem CID172856015
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Namedi(cyclopent-3-en-1-yl)methanone
SMILESO=C(C1CC=CC1)C1CC=CC1
InChIInChI=1S/C11H14O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-4,9-10H,5-8H2
InChIKeyYSGXFUUMCJUVGQ-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(cyclopent-3-en-1-yl)methanone?
The IUPAC name of di(cyclopent-3-en-1-yl)methanone (CID 172856015) is di(cyclopent-3-en-1-yl)methanone.
What is the SMILES notation for di(cyclopent-3-en-1-yl)methanone?
The canonical SMILES for di(cyclopent-3-en-1-yl)methanone is O=C(C1CC=CC1)C1CC=CC1.
What is the InChIKey of di(cyclopent-3-en-1-yl)methanone?
The InChIKey is YSGXFUUMCJUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h1-4,9-10H,5-8H2.
What are the key properties of di(cyclopent-3-en-1-yl)methanone?
di(cyclopent-3-en-1-yl)methanone has a molecular weight of 162.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopent-3-en-1-yl)methanone is sourced from PubChem (CID 172856015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).