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

C9H17NO — CID 176945836

IUPAC7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
SMILESCC1(O)CCC2CCNCC21
InChIInChI=1S/C9H17NO/c1-9(11)4-2-7-3-5-10-6-8(7)9/h7-8,10-11H,2-6H2,1H3
InChIKeyBXKHZRCBLACKFJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds

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

7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol (PubChem CID 176945836) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol.

Molecular Properties

Compound Name7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
PubChem CID176945836
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol
SMILESCC1(O)CCC2CCNCC21
InChIInChI=1S/C9H17NO/c1-9(11)4-2-7-3-5-10-6-8(7)9/h7-8,10-11H,2-6H2,1H3
InChIKeyBXKHZRCBLACKFJ-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The IUPAC name of 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol (CID 176945836) is 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol.
What is the SMILES notation for 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The canonical SMILES for 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol is CC1(O)CCC2CCNCC21.
What is the InChIKey of 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
The InChIKey is BXKHZRCBLACKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(11)4-2-7-3-5-10-6-8(7)9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol?
7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,4a,5,6,7a-octahydrocyclopenta[c]pyridin-7-ol is sourced from PubChem (CID 176945836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).