(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol

C11H21NO — CID 10702612

IUPAC(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@@H]1[C@@H]2CN(C)C[C@@H](C)[C@H]2C[C@H]1O
InChIInChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1
InChIKeyMDEHQFAHARLWSP-MVCUBJFGSA-N
MW183.29 g/mol
LogP1.20
Rot. Bonds

About (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol

(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol (PubChem CID 10702612) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol.

Molecular Properties

Compound Name(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
PubChem CID10702612
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
SMILESC[C@@H]1[C@@H]2CN(C)C[C@@H](C)[C@H]2C[C@H]1O
InChIInChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1
InChIKeyMDEHQFAHARLWSP-MVCUBJFGSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The IUPAC name of (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol (CID 10702612) is (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol.
What is the SMILES notation for (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The canonical SMILES for (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol is C[C@@H]1[C@@H]2CN(C)C[C@@H](C)[C@H]2C[C@H]1O.
What is the InChIKey of (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
The InChIKey is MDEHQFAHARLWSP-MVCUBJFGSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8-,9-,10+,11-/m1/s1.
What are the key properties of (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol?
(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol has a molecular weight of 183.29 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol is sourced from PubChem (CID 10702612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).