4-prop-2-enylinden-1-one

C12H10O — CID 140984036

IUPAC4-prop-2-enylinden-1-one
SMILESC=CCc1cccc2c1C=CC2=O
InChIInChI=1S/C12H10O/c1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h2-3,5-8H,1,4H2
InChIKeyUBPREOGTSCZPKQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.62
Rot. Bonds2

About 4-prop-2-enylinden-1-one

4-prop-2-enylinden-1-one (PubChem CID 140984036) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-prop-2-enylinden-1-one.

Molecular Properties

Compound Name4-prop-2-enylinden-1-one
PubChem CID140984036
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name4-prop-2-enylinden-1-one
SMILESC=CCc1cccc2c1C=CC2=O
InChIInChI=1S/C12H10O/c1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h2-3,5-8H,1,4H2
InChIKeyUBPREOGTSCZPKQ-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylinden-1-one?
The IUPAC name of 4-prop-2-enylinden-1-one (CID 140984036) is 4-prop-2-enylinden-1-one.
What is the SMILES notation for 4-prop-2-enylinden-1-one?
The canonical SMILES for 4-prop-2-enylinden-1-one is C=CCc1cccc2c1C=CC2=O.
What is the InChIKey of 4-prop-2-enylinden-1-one?
The InChIKey is UBPREOGTSCZPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-2-4-9-5-3-6-11-10(9)7-8-12(11)13/h2-3,5-8H,1,4H2.
What are the key properties of 4-prop-2-enylinden-1-one?
4-prop-2-enylinden-1-one has a molecular weight of 170.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylinden-1-one is sourced from PubChem (CID 140984036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).