cyclopropene;pentane-2,4-dione

C8H12O2 — CID 19973815

IUPACcyclopropene;pentane-2,4-dione
SMILESC1=CC1.CC(=O)CC(C)=O
InChIInChI=1S/C5H8O2.C3H4/c1-4(6)3-5(2)7;1-2-3-1/h3H2,1-2H3;1-2H,3H2
InChIKeyBCNACSDHRKRDCC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.50
Rot. Bonds2

About cyclopropene;pentane-2,4-dione

cyclopropene;pentane-2,4-dione (PubChem CID 19973815) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cyclopropene;pentane-2,4-dione.

Molecular Properties

Compound Namecyclopropene;pentane-2,4-dione
PubChem CID19973815
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecyclopropene;pentane-2,4-dione
SMILESC1=CC1.CC(=O)CC(C)=O
InChIInChI=1S/C5H8O2.C3H4/c1-4(6)3-5(2)7;1-2-3-1/h3H2,1-2H3;1-2H,3H2
InChIKeyBCNACSDHRKRDCC-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.50
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 cyclopropene;pentane-2,4-dione?
The IUPAC name of cyclopropene;pentane-2,4-dione (CID 19973815) is cyclopropene;pentane-2,4-dione.
What is the SMILES notation for cyclopropene;pentane-2,4-dione?
The canonical SMILES for cyclopropene;pentane-2,4-dione is C1=CC1.CC(=O)CC(C)=O.
What is the InChIKey of cyclopropene;pentane-2,4-dione?
The InChIKey is BCNACSDHRKRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H4/c1-4(6)3-5(2)7;1-2-3-1/h3H2,1-2H3;1-2H,3H2.
What are the key properties of cyclopropene;pentane-2,4-dione?
cyclopropene;pentane-2,4-dione has a molecular weight of 140.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene;pentane-2,4-dione is sourced from PubChem (CID 19973815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).