(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one

C16H16O — CID 102021850

IUPAC(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(/C)Cc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-12(10-13(2)17)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3/b12-10-
InChIKeyLVAXRTPHDKKMIL-BENRWUELSA-N
MW224.30 g/mol
LogP3.92
Rot. Bonds3

About (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one

(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one (PubChem CID 102021850) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
PubChem CID102021850
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(/C)Cc1cccc2ccccc12
InChIInChI=1S/C16H16O/c1-12(10-13(2)17)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3/b12-10-
InChIKeyLVAXRTPHDKKMIL-BENRWUELSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.92
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 (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one?
The IUPAC name of (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one (CID 102021850) is (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one?
The canonical SMILES for (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one is CC(=O)/C=C(/C)Cc1cccc2ccccc12.
What is the InChIKey of (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one?
The InChIKey is LVAXRTPHDKKMIL-BENRWUELSA-N. The full InChI is InChI=1S/C16H16O/c1-12(10-13(2)17)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11H2,1-2H3/b12-10-.
What are the key properties of (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one?
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one has a molecular weight of 224.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one is sourced from PubChem (CID 102021850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).