6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium

C17H25NORh — CID 58047260

IUPAC6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium
SMILESCc1cc(O)cnc1CCC1CCC2CCCC2C1.[Rh]
InChIInChI=1S/C17H25NO.Rh/c1-12-9-16(19)11-18-17(12)8-6-13-5-7-14-3-2-4-15(14)10-13;/h9,11,13-15,19H,2-8,10H2,1H3;
InChIKeyWEQGTLKYDBHQJW-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.24
Rot. Bonds3

About 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium

6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium (PubChem CID 58047260) has the molecular formula C17H25NORh and a molecular weight of 362.30 g/mol. Its IUPAC name is 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium.

Molecular Properties

Compound Name6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium
PubChem CID58047260
Molecular FormulaC17H25NORh
Molecular Weight362.30 g/mol
Exact Mass362.10
IUPAC Name6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium
SMILESCc1cc(O)cnc1CCC1CCC2CCCC2C1.[Rh]
InChIInChI=1S/C17H25NO.Rh/c1-12-9-16(19)11-18-17(12)8-6-13-5-7-14-3-2-4-15(14)10-13;/h9,11,13-15,19H,2-8,10H2,1H3;
InChIKeyWEQGTLKYDBHQJW-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium?
The IUPAC name of 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium (CID 58047260) is 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium.
What is the SMILES notation for 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium?
The canonical SMILES for 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium is Cc1cc(O)cnc1CCC1CCC2CCCC2C1.[Rh].
What is the InChIKey of 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium?
The InChIKey is WEQGTLKYDBHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.Rh/c1-12-9-16(19)11-18-17(12)8-6-13-5-7-14-3-2-4-15(14)10-13;/h9,11,13-15,19H,2-8,10H2,1H3;.
What are the key properties of 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium?
6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium has a molecular weight of 362.30 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-5-methylpyridin-3-ol;rhodium is sourced from PubChem (CID 58047260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).