1-naphthalen-1-ylpentane-1,2-dione

C15H14O2 — CID 69248581

IUPAC1-naphthalen-1-ylpentane-1,2-dione
SMILESCCCC(=O)C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-6-14(16)15(17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKeyLFFFWCMOFAVWGR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.39
Rot. Bonds4

About 1-naphthalen-1-ylpentane-1,2-dione

1-naphthalen-1-ylpentane-1,2-dione (PubChem CID 69248581) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-naphthalen-1-ylpentane-1,2-dione.

Molecular Properties

Compound Name1-naphthalen-1-ylpentane-1,2-dione
PubChem CID69248581
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name1-naphthalen-1-ylpentane-1,2-dione
SMILESCCCC(=O)C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-6-14(16)15(17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKeyLFFFWCMOFAVWGR-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
1,8-dinaphthalen-1-yloctane-1,2,8-trione
CID 140639946
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
1-naphthalen-1-yldodecan-1-one
CID 3424169
1,2-dinaphthalen-1-yloctane-1,4,5-trione
CID 140640405
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
tris(naphthalene-1-carboxylate);octyltin(3+)
CID 159919940
naphthalene-1-carbonyl iodide
CID 87393513
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1,4-dinaphthalen-1-ylheptane-1,2,3-trione
CID 141348033

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylpentane-1,2-dione?
The IUPAC name of 1-naphthalen-1-ylpentane-1,2-dione (CID 69248581) is 1-naphthalen-1-ylpentane-1,2-dione.
What is the SMILES notation for 1-naphthalen-1-ylpentane-1,2-dione?
The canonical SMILES for 1-naphthalen-1-ylpentane-1,2-dione is CCCC(=O)C(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylpentane-1,2-dione?
The InChIKey is LFFFWCMOFAVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-6-14(16)15(17)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-naphthalen-1-ylpentane-1,2-dione?
1-naphthalen-1-ylpentane-1,2-dione has a molecular weight of 226.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylpentane-1,2-dione is sourced from PubChem (CID 69248581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).