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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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).