4-ethylidene-2,3-dihydronaphthalen-1-one

C12H12O — CID 123395937

IUPAC4-ethylidene-2,3-dihydronaphthalen-1-one
SMILESCC=C1CCC(=O)c2ccccc21
InChIInChI=1S/C12H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h2-6H,7-8H2,1H3
InChIKeyRFJLAPOHVKVKAI-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.07
Rot. Bonds

About 4-ethylidene-2,3-dihydronaphthalen-1-one

4-ethylidene-2,3-dihydronaphthalen-1-one (PubChem CID 123395937) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-ethylidene-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4-ethylidene-2,3-dihydronaphthalen-1-one
PubChem CID123395937
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name4-ethylidene-2,3-dihydronaphthalen-1-one
SMILESCC=C1CCC(=O)c2ccccc21
InChIInChI=1S/C12H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h2-6H,7-8H2,1H3
InChIKeyRFJLAPOHVKVKAI-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
2-ethylidene-3H-inden-1-one
CID 58198195
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
2-(2-phenylethylidene)cyclobutan-1-one
CID 91609931
2-benzylidenecyclobutan-1-one
CID 73042587
(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide
CID 89332319
5-ethylidene-7,8-dihydro-6H-quinoline
CID 164582583
2,3-dihydroinden-1-one;sulfamic acid
CID 159659034
1,1-dioxo-2,3-dihydrothiochromen-4-one;ethane
CID 90931933
ethane;(2E)-2-ethylidene-5-methylcyclohept-4-en-1-one
CID 145328904
1-(4-oxo-2,3-dihydroquinolin-1-yl)-2,3-dihydroquinolin-4-one
CID 66967300
(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
CID 131345602

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2,3-dihydronaphthalen-1-one?
The IUPAC name of 4-ethylidene-2,3-dihydronaphthalen-1-one (CID 123395937) is 4-ethylidene-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 4-ethylidene-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 4-ethylidene-2,3-dihydronaphthalen-1-one is CC=C1CCC(=O)c2ccccc21.
What is the InChIKey of 4-ethylidene-2,3-dihydronaphthalen-1-one?
The InChIKey is RFJLAPOHVKVKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h2-6H,7-8H2,1H3.
What are the key properties of 4-ethylidene-2,3-dihydronaphthalen-1-one?
4-ethylidene-2,3-dihydronaphthalen-1-one has a molecular weight of 172.23 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 123395937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).