cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone

C17H20O — CID 106651930

IUPACcyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1=CCCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H20O/c18-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-16/h5-7,9-10,16H,1-4,8,11-12H2
InChIKeyORRFJMBPMPELFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.86
Rot. Bonds2

About cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone

cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 106651930) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID106651930
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Namecyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
SMILESO=C(C1=CCCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H20O/c18-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-16/h5-7,9-10,16H,1-4,8,11-12H2
InChIKeyORRFJMBPMPELFC-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone (CID 106651930) is cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone is O=C(C1=CCCCCC1)C1Cc2ccccc2C1.
What is the InChIKey of cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is ORRFJMBPMPELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c18-17(13-7-3-1-2-4-8-13)16-11-14-9-5-6-10-15(14)12-16/h5-7,9-10,16H,1-4,8,11-12H2.
What are the key properties of cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone?
cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 106651930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).