(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

C10H19N — CID 3082772

IUPAC(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC[C@@H]1CC[C@@H]2[C@H]1CNC[C@@H]2C
InChIInChI=1S/C10H19N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKeyXFDFLVUGOJZRPW-KATARQTJSA-N
MW153.27 g/mol
LogP1.89
Rot. Bonds

About (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine

(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 3082772) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID3082772
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESC[C@@H]1CC[C@@H]2[C@H]1CNC[C@@H]2C
InChIInChI=1S/C10H19N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKeyXFDFLVUGOJZRPW-KATARQTJSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 3082772) is (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is C[C@@H]1CC[C@@H]2[C@H]1CNC[C@@H]2C.
What is the InChIKey of (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is XFDFLVUGOJZRPW-KATARQTJSA-N. The full InChI is InChI=1S/C10H19N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h7-11H,3-6H2,1-2H3/t7-,8+,9+,10+/m1/s1.
What are the key properties of (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
(4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 153.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aS)-4,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 3082772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).