1-naphthalen-1-ylpentane-2,4-dione

C15H14O2 — CID 54264117

IUPAC1-naphthalen-1-ylpentane-2,4-dione
SMILESCC(=O)CC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13/h2-8H,9-10H2,1H3
InChIKeyRFOAMCAOCMJCLD-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.93
Rot. Bonds4

About 1-naphthalen-1-ylpentane-2,4-dione

1-naphthalen-1-ylpentane-2,4-dione (PubChem CID 54264117) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-naphthalen-1-ylpentane-2,4-dione.

Molecular Properties

Compound Name1-naphthalen-1-ylpentane-2,4-dione
PubChem CID54264117
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name1-naphthalen-1-ylpentane-2,4-dione
SMILESCC(=O)CC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13/h2-8H,9-10H2,1H3
InChIKeyRFOAMCAOCMJCLD-UHFFFAOYSA-N
XLogP2.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylbutan-2-one
CID 4564544
5-methyl-6-naphthalen-1-ylhex-4-en-2-one
CID 90716108
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652
1,8-dinaphthalen-1-yloctane-1,5,7-trione
CID 140639848

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylpentane-2,4-dione?
The IUPAC name of 1-naphthalen-1-ylpentane-2,4-dione (CID 54264117) is 1-naphthalen-1-ylpentane-2,4-dione.
What is the SMILES notation for 1-naphthalen-1-ylpentane-2,4-dione?
The canonical SMILES for 1-naphthalen-1-ylpentane-2,4-dione is CC(=O)CC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylpentane-2,4-dione?
The InChIKey is RFOAMCAOCMJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13/h2-8H,9-10H2,1H3.
What are the key properties of 1-naphthalen-1-ylpentane-2,4-dione?
1-naphthalen-1-ylpentane-2,4-dione has a molecular weight of 226.27 g/mol, XLogP of 2.93, 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-2,4-dione is sourced from PubChem (CID 54264117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).