1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione

C10H10O3 — CID 43138918

IUPAC1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
SMILESO=C(CC(=O)C1CC1)c1ccco1
InChIInChI=1S/C10H10O3/c11-8(7-3-4-7)6-9(12)10-2-1-5-13-10/h1-2,5,7H,3-4,6H2
InChIKeyQDRVWJATRDKDFD-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.83
Rot. Bonds4

About 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione

1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione (PubChem CID 43138918) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
PubChem CID43138918
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
SMILESO=C(CC(=O)C1CC1)c1ccco1
InChIInChI=1S/C10H10O3/c11-8(7-3-4-7)6-9(12)10-2-1-5-13-10/h1-2,5,7H,3-4,6H2
InChIKeyQDRVWJATRDKDFD-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone
CID 71643902
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
CID 71643901
1-cyclopropyl-4-phenylbutane-1,3-dione
CID 19431038
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
2-(3-aminocyclopentyl)-1-(furan-2-yl)ethanone
CID 130719938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione?
The IUPAC name of 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione (CID 43138918) is 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione is O=C(CC(=O)C1CC1)c1ccco1.
What is the InChIKey of 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione?
The InChIKey is QDRVWJATRDKDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8(7-3-4-7)6-9(12)10-2-1-5-13-10/h1-2,5,7H,3-4,6H2.
What are the key properties of 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione?
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione has a molecular weight of 178.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione is sourced from PubChem (CID 43138918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).