ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol

C11H23NO — CID 176945863

IUPACethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
SMILESCC.CC1(O)CCC2CCNCC21
InChIInChI=1S/C9H17NO.C2H6/c1-9(11)4-2-7-3-5-10-6-8(7)9;1-2/h7-8,10-11H,2-6H2,1H3;1-2H3
InChIKeyWVFAYUYQXJJGGE-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds

About ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol

ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol (PubChem CID 176945863) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol.

Molecular Properties

Compound Nameethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
PubChem CID176945863
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
SMILESCC.CC1(O)CCC2CCNCC21
InChIInChI=1S/C9H17NO.C2H6/c1-9(11)4-2-7-3-5-10-6-8(7)9;1-2/h7-8,10-11H,2-6H2,1H3;1-2H3
InChIKeyWVFAYUYQXJJGGE-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The IUPAC name of ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol (CID 176945863) is ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol.
What is the SMILES notation for ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The canonical SMILES for ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol is CC.CC1(O)CCC2CCNCC21.
What is the InChIKey of ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The InChIKey is WVFAYUYQXJJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-9(11)4-2-7-3-5-10-6-8(7)9;1-2/h7-8,10-11H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol is sourced from PubChem (CID 176945863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).