1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone

C21H24O — CID 70326806

IUPAC1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone
SMILESO=C(C1=Cc2ccccc2C1)C12CCCC3CC(CC3C1)C2
InChIInChI=1S/C21H24O/c22-20(18-10-16-4-1-2-5-17(16)11-18)21-7-3-6-15-8-14(12-21)9-19(15)13-21/h1-2,4-5,10,14-15,19H,3,6-9,11-13H2
InChIKeyCNVYFUOMSADXBV-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.80
Rot. Bonds2

About 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone

1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone (PubChem CID 70326806) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone.

Molecular Properties

Compound Name1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone
PubChem CID70326806
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone
SMILESO=C(C1=Cc2ccccc2C1)C12CCCC3CC(CC3C1)C2
InChIInChI=1S/C21H24O/c22-20(18-10-16-4-1-2-5-17(16)11-18)21-7-3-6-15-8-14(12-21)9-19(15)13-21/h1-2,4-5,10,14-15,19H,3,6-9,11-13H2
InChIKeyCNVYFUOMSADXBV-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone?
The IUPAC name of 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone (CID 70326806) is 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone.
What is the SMILES notation for 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone?
The canonical SMILES for 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone is O=C(C1=Cc2ccccc2C1)C12CCCC3CC(CC3C1)C2.
What is the InChIKey of 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone?
The InChIKey is CNVYFUOMSADXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c22-20(18-10-16-4-1-2-5-17(16)11-18)21-7-3-6-15-8-14(12-21)9-19(15)13-21/h1-2,4-5,10,14-15,19H,3,6-9,11-13H2.
What are the key properties of 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone?
1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone has a molecular weight of 292.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-yl(7-tricyclo[5.3.1.03,9]undecanyl)methanone is sourced from PubChem (CID 70326806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).