2-[(E)-pent-2-enyl]cyclopentane-1,3-dione

C10H14O2 — CID 131235399

IUPAC2-[(E)-pent-2-enyl]cyclopentane-1,3-dione
SMILESCC/C=C/CC1C(=O)CCC1=O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyMCDVWMVLLDSWNW-ONEGZZNKSA-N
MW166.22 g/mol
LogP1.89
Rot. Bonds3

About 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione

2-[(E)-pent-2-enyl]cyclopentane-1,3-dione (PubChem CID 131235399) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-[(E)-pent-2-enyl]cyclopentane-1,3-dione
PubChem CID131235399
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-[(E)-pent-2-enyl]cyclopentane-1,3-dione
SMILESCC/C=C/CC1C(=O)CCC1=O
InChIInChI=1S/C10H14O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyMCDVWMVLLDSWNW-ONEGZZNKSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione?
The IUPAC name of 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione (CID 131235399) is 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione.
What is the SMILES notation for 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione?
The canonical SMILES for 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione is CC/C=C/CC1C(=O)CCC1=O.
What is the InChIKey of 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione?
The InChIKey is MCDVWMVLLDSWNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-4-5-8-9(11)6-7-10(8)12/h3-4,8H,2,5-7H2,1H3/b4-3+.
What are the key properties of 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione?
2-[(E)-pent-2-enyl]cyclopentane-1,3-dione has a molecular weight of 166.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-enyl]cyclopentane-1,3-dione is sourced from PubChem (CID 131235399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).