5-(furan-3-yl)-2-methylpent-1-en-3-one

C10H12O2 — CID 535169

IUPAC5-(furan-3-yl)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCc1ccoc1
InChIInChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3
InChIKeyXUCQQLCBOJJVRF-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.36
Rot. Bonds4

About 5-(furan-3-yl)-2-methylpent-1-en-3-one

5-(furan-3-yl)-2-methylpent-1-en-3-one (PubChem CID 535169) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-(furan-3-yl)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(furan-3-yl)-2-methylpent-1-en-3-one
PubChem CID535169
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-(furan-3-yl)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCc1ccoc1
InChIInChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3
InChIKeyXUCQQLCBOJJVRF-UHFFFAOYSA-N
XLogP2.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-2-methylpent-1-en-3-one?
The IUPAC name of 5-(furan-3-yl)-2-methylpent-1-en-3-one (CID 535169) is 5-(furan-3-yl)-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-(furan-3-yl)-2-methylpent-1-en-3-one?
The canonical SMILES for 5-(furan-3-yl)-2-methylpent-1-en-3-one is C=C(C)C(=O)CCc1ccoc1.
What is the InChIKey of 5-(furan-3-yl)-2-methylpent-1-en-3-one?
The InChIKey is XUCQQLCBOJJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7H,1,3-4H2,2H3.
What are the key properties of 5-(furan-3-yl)-2-methylpent-1-en-3-one?
5-(furan-3-yl)-2-methylpent-1-en-3-one has a molecular weight of 164.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-2-methylpent-1-en-3-one is sourced from PubChem (CID 535169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).