(E)-1-naphthalen-2-ylhex-2-en-1-one

C16H16O — CID 22625485

IUPAC(E)-1-naphthalen-2-ylhex-2-en-1-one
SMILESCCC/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h4-12H,2-3H2,1H3/b9-4+
InChIKeyRIEPVYPFQVHWLY-RUDMXATFSA-N
MW224.30 g/mol
LogP4.38
Rot. Bonds4

About (E)-1-naphthalen-2-ylhex-2-en-1-one

(E)-1-naphthalen-2-ylhex-2-en-1-one (PubChem CID 22625485) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (E)-1-naphthalen-2-ylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-ylhex-2-en-1-one
PubChem CID22625485
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(E)-1-naphthalen-2-ylhex-2-en-1-one
SMILESCCC/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H16O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h4-12H,2-3H2,1H3/b9-4+
InChIKeyRIEPVYPFQVHWLY-RUDMXATFSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-1-naphthalen-2-ylhex-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-ylhex-2-en-1-one (CID 22625485) is (E)-1-naphthalen-2-ylhex-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-ylhex-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-ylhex-2-en-1-one is CCC/C=C/C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-ylhex-2-en-1-one?
The InChIKey is RIEPVYPFQVHWLY-RUDMXATFSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-4-9-16(17)15-11-10-13-7-5-6-8-14(13)12-15/h4-12H,2-3H2,1H3/b9-4+.
What are the key properties of (E)-1-naphthalen-2-ylhex-2-en-1-one?
(E)-1-naphthalen-2-ylhex-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-ylhex-2-en-1-one is sourced from PubChem (CID 22625485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).