1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one

C17H20O — CID 132585018

IUPAC1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one
SMILESC/C=C/C(C)C1(C)C(=O)C(C)=Cc2ccccc21
InChIInChI=1S/C17H20O/c1-5-8-13(3)17(4)15-10-7-6-9-14(15)11-12(2)16(17)18/h5-11,13H,1-4H3/b8-5+
InChIKeyGGBXQLZXMWIMBK-VMPITWQZSA-N
MW240.35 g/mol
LogP4.14
Rot. Bonds2

About 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one

1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one (PubChem CID 132585018) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one.

Molecular Properties

Compound Name1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one
PubChem CID132585018
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one
SMILESC/C=C/C(C)C1(C)C(=O)C(C)=Cc2ccccc21
InChIInChI=1S/C17H20O/c1-5-8-13(3)17(4)15-10-7-6-9-14(15)11-12(2)16(17)18/h5-11,13H,1-4H3/b8-5+
InChIKeyGGBXQLZXMWIMBK-VMPITWQZSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1-[(Z)-pent-3-en-2-yl]naphthalen-2-one
CID 177431210
(1R)-1-benzyl-3-methyl-1-[(E)-3-phenylprop-2-enyl]naphthalen-2-one
CID 134957573
(1S)-3-bromo-1-methyl-1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-2-one
CID 102530223
1,1-diiodo-2-propan-2-ylindene
CID 174700664
2-ethylidene-1,1,3,3-tetramethylindene
CID 71425228
1,2-dimethyl-1-(4-methylphenyl)indene
CID 143243709
(1S,8S)-1,8,10,10,11,12-hexamethyltricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-9-one
CID 98141635
diethyl (Z)-2-[(1S)-1-methyl-2-oxo-3-(2-phenylethynyl)naphthalen-1-yl]but-2-enedioate
CID 134955697
benzyl N-(1,3-dimethyl-2-oxonaphthalen-1-yl)-N-(phenylmethoxycarbonylamino)carbamate
CID 132566384
9,9,10-trimethyl-10-propan-2-ylanthracene
CID 177080300
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one?
The IUPAC name of 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one (CID 132585018) is 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one.
What is the SMILES notation for 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one?
The canonical SMILES for 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one is C/C=C/C(C)C1(C)C(=O)C(C)=Cc2ccccc21.
What is the InChIKey of 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one?
The InChIKey is GGBXQLZXMWIMBK-VMPITWQZSA-N. The full InChI is InChI=1S/C17H20O/c1-5-8-13(3)17(4)15-10-7-6-9-14(15)11-12(2)16(17)18/h5-11,13H,1-4H3/b8-5+.
What are the key properties of 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one?
1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one has a molecular weight of 240.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(E)-pent-3-en-2-yl]naphthalen-2-one is sourced from PubChem (CID 132585018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).