(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one

C10H12O3 — CID 171991292

IUPAC(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C(\O)c1ccco1
InChIInChI=1S/C10H12O3/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-7,12H,1-2H3/b9-6-
InChIKeyKXTOQLVAQJGVMN-TWGQIWQCSA-N
MW180.20 g/mol
LogP2.40
Rot. Bonds3

About (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one

(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one (PubChem CID 171991292) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one
PubChem CID171991292
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)/C=C(\O)c1ccco1
InChIInChI=1S/C10H12O3/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-7,12H,1-2H3/b9-6-
InChIKeyKXTOQLVAQJGVMN-TWGQIWQCSA-N
XLogP2.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5,5-pentafluoro-1-(furan-2-yl)-1-hydroxypent-1-en-3-one
CID 74687556
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
furan-2-carboxylic acid;methanol
CID 70611195
methane;propan-2-yl furan-2-carboxylate
CID 157166715
furan-2-carboxylic acid;methanamine
CID 82372767
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;gold
CID 174701575
4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 40637844
(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one?
The IUPAC name of (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one (CID 171991292) is (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one?
The canonical SMILES for (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one is CC(C)C(=O)/C=C(\O)c1ccco1.
What is the InChIKey of (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one?
The InChIKey is KXTOQLVAQJGVMN-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-7,12H,1-2H3/b9-6-.
What are the key properties of (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one?
(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one has a molecular weight of 180.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one is sourced from PubChem (CID 171991292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).