5-ethenyl-3,4-dihydro-2H-pentalen-1-one

C10H10O — CID 91567543

IUPAC5-ethenyl-3,4-dihydro-2H-pentalen-1-one
SMILESC=CC1=CC2=C(CCC2=O)C1
InChIInChI=1S/C10H10O/c1-2-7-5-8-3-4-10(11)9(8)6-7/h2,6H,1,3-5H2
InChIKeyPYCCZSXSOQWRKP-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.16
Rot. Bonds1

About 5-ethenyl-3,4-dihydro-2H-pentalen-1-one

5-ethenyl-3,4-dihydro-2H-pentalen-1-one (PubChem CID 91567543) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-ethenyl-3,4-dihydro-2H-pentalen-1-one.

Molecular Properties

Compound Name5-ethenyl-3,4-dihydro-2H-pentalen-1-one
PubChem CID91567543
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name5-ethenyl-3,4-dihydro-2H-pentalen-1-one
SMILESC=CC1=CC2=C(CCC2=O)C1
InChIInChI=1S/C10H10O/c1-2-7-5-8-3-4-10(11)9(8)6-7/h2,6H,1,3-5H2
InChIKeyPYCCZSXSOQWRKP-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,4-dihydro-2H-pentalen-1-one?
The IUPAC name of 5-ethenyl-3,4-dihydro-2H-pentalen-1-one (CID 91567543) is 5-ethenyl-3,4-dihydro-2H-pentalen-1-one.
What is the SMILES notation for 5-ethenyl-3,4-dihydro-2H-pentalen-1-one?
The canonical SMILES for 5-ethenyl-3,4-dihydro-2H-pentalen-1-one is C=CC1=CC2=C(CCC2=O)C1.
What is the InChIKey of 5-ethenyl-3,4-dihydro-2H-pentalen-1-one?
The InChIKey is PYCCZSXSOQWRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-7-5-8-3-4-10(11)9(8)6-7/h2,6H,1,3-5H2.
What are the key properties of 5-ethenyl-3,4-dihydro-2H-pentalen-1-one?
5-ethenyl-3,4-dihydro-2H-pentalen-1-one has a molecular weight of 146.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,4-dihydro-2H-pentalen-1-one is sourced from PubChem (CID 91567543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).