3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one

C18H18O — CID 73094979

IUPAC3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one
SMILESO=C1C2CCC1CC(=CC1=Cc3ccccc3C1)C2
InChIInChI=1S/C18H18O/c19-18-16-5-6-17(18)11-13(10-16)7-12-8-14-3-1-2-4-15(14)9-12/h1-4,7-8,16-17H,5-6,9-11H2
InChIKeyQCNBQVOZECTVQJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.94
Rot. Bonds1

About 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one

3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one (PubChem CID 73094979) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one
PubChem CID73094979
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one
SMILESO=C1C2CCC1CC(=CC1=Cc3ccccc3C1)C2
InChIInChI=1S/C18H18O/c19-18-16-5-6-17(18)11-13(10-16)7-12-8-14-3-1-2-4-15(14)9-12/h1-4,7-8,16-17H,5-6,9-11H2
InChIKeyQCNBQVOZECTVQJ-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octane-8-thione
CID 11076390
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 5260406
ethane;tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 91364576
3,4-dihydronaphthalene-2-carbaldehyde;hydron
CID 174414426
(7R,9E)-7-hydroxy-5,6,7,8-tetrahydrobenzo[8]annulene-9-carbaldehyde
CID 135041807
(7R,16S,28R,37S)-decacyclo[20.20.1.17,16.128,37.03,20.05,18.09,14.024,41.026,39.030,35]pentatetraconta-3(20),4,9,11,13,18,24(41),25,30,32,34,39-dodecaene-43,44,45-trione
CID 15857415
CID 143131255
CID 143131255
2-methylselanyl-1H-indene
CID 11041997
N-(1H-inden-2-yl)formamide
CID 59823848
2-Chloromethylsilylindene
CID 22395119
3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
1H-inden-2-ylsilane
CID 137327560

Frequently Asked Questions

What is the IUPAC name of 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one?
The IUPAC name of 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one (CID 73094979) is 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one?
The canonical SMILES for 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one is O=C1C2CCC1CC(=CC1=Cc3ccccc3C1)C2.
What is the InChIKey of 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one?
The InChIKey is QCNBQVOZECTVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c19-18-16-5-6-17(18)11-13(10-16)7-12-8-14-3-1-2-4-15(14)9-12/h1-4,7-8,16-17H,5-6,9-11H2.
What are the key properties of 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one?
3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one has a molecular weight of 250.34 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-2-ylmethylidene)bicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 73094979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).