(2E)-2-pentylidenenaphthalen-1-one

C15H16O — CID 69085981

IUPAC(2E)-2-pentylidenenaphthalen-1-one
SMILESCCCC/C=C1\C=Cc2ccccc2C1=O
InChIInChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h5-11H,2-4H2,1H3/b13-8+
InChIKeyUJRXMWVJHZOTRO-MDWZMJQESA-N
MW212.29 g/mol
LogP4.01
Rot. Bonds3

About (2E)-2-pentylidenenaphthalen-1-one

(2E)-2-pentylidenenaphthalen-1-one (PubChem CID 69085981) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (2E)-2-pentylidenenaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-pentylidenenaphthalen-1-one
PubChem CID69085981
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(2E)-2-pentylidenenaphthalen-1-one
SMILESCCCC/C=C1\C=Cc2ccccc2C1=O
InChIInChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h5-11H,2-4H2,1H3/b13-8+
InChIKeyUJRXMWVJHZOTRO-MDWZMJQESA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-pentylidenenaphthalen-1-one?
The IUPAC name of (2E)-2-pentylidenenaphthalen-1-one (CID 69085981) is (2E)-2-pentylidenenaphthalen-1-one.
What is the SMILES notation for (2E)-2-pentylidenenaphthalen-1-one?
The canonical SMILES for (2E)-2-pentylidenenaphthalen-1-one is CCCC/C=C1\C=Cc2ccccc2C1=O.
What is the InChIKey of (2E)-2-pentylidenenaphthalen-1-one?
The InChIKey is UJRXMWVJHZOTRO-MDWZMJQESA-N. The full InChI is InChI=1S/C15H16O/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16/h5-11H,2-4H2,1H3/b13-8+.
What are the key properties of (2E)-2-pentylidenenaphthalen-1-one?
(2E)-2-pentylidenenaphthalen-1-one has a molecular weight of 212.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-pentylidenenaphthalen-1-one is sourced from PubChem (CID 69085981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).