ethane;1-propylidene-3,4-dihydronaphthalen-2-one

C15H20O — CID 91507924

IUPACethane;1-propylidene-3,4-dihydronaphthalen-2-one
SMILESCC.CCC=C1C(=O)CCc2ccccc21
InChIInChI=1S/C13H14O.C2H6/c1-2-5-12-11-7-4-3-6-10(11)8-9-13(12)14;1-2/h3-7H,2,8-9H2,1H3;1-2H3
InChIKeyDFZMOVXKVYTOSX-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.02
Rot. Bonds1

About ethane;1-propylidene-3,4-dihydronaphthalen-2-one

ethane;1-propylidene-3,4-dihydronaphthalen-2-one (PubChem CID 91507924) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;1-propylidene-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Nameethane;1-propylidene-3,4-dihydronaphthalen-2-one
PubChem CID91507924
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Nameethane;1-propylidene-3,4-dihydronaphthalen-2-one
SMILESCC.CCC=C1C(=O)CCc2ccccc21
InChIInChI=1S/C13H14O.C2H6/c1-2-5-12-11-7-4-3-6-10(11)8-9-13(12)14;1-2/h3-7H,2,8-9H2,1H3;1-2H3
InChIKeyDFZMOVXKVYTOSX-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.02
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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Related Compounds

ethane;(3E)-3-propylidene-1,2-dihydroindene
CID 143438466
(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one
CID 10879469
9,10-dihydrophenanthrene;ethane
CID 143759681
2,3-dihydro-1H-indene;2,3-dihydroinden-1-one;3,4-dihydro-2H-naphthalen-1-one;ethane;methane;tetrakis(2-methylpropane);propane;1,2,3,4-tetrahydronaphthalene
CID 161253629
2-propylidene-3H-inden-1-one
CID 131043443
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
trimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azanium iodide
CID 134990261
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
3-propylidene-1-benzofuran-2-one
CID 141094787
N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]nitrous amide
CID 165459181
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
2-[[(Z)-(2-oxo-3,4-dihydronaphthalen-1-ylidene)methyl]amino]-2-phenylacetic acid
CID 10881360

Frequently Asked Questions

What is the IUPAC name of ethane;1-propylidene-3,4-dihydronaphthalen-2-one?
The IUPAC name of ethane;1-propylidene-3,4-dihydronaphthalen-2-one (CID 91507924) is ethane;1-propylidene-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for ethane;1-propylidene-3,4-dihydronaphthalen-2-one?
The canonical SMILES for ethane;1-propylidene-3,4-dihydronaphthalen-2-one is CC.CCC=C1C(=O)CCc2ccccc21.
What is the InChIKey of ethane;1-propylidene-3,4-dihydronaphthalen-2-one?
The InChIKey is DFZMOVXKVYTOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O.C2H6/c1-2-5-12-11-7-4-3-6-10(11)8-9-13(12)14;1-2/h3-7H,2,8-9H2,1H3;1-2H3.
What are the key properties of ethane;1-propylidene-3,4-dihydronaphthalen-2-one?
ethane;1-propylidene-3,4-dihydronaphthalen-2-one has a molecular weight of 216.32 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propylidene-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 91507924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).