(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine

C11H17N — CID 130337306

IUPAC(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
SMILESCC1CC2=C(C=N1)[C@H](C)C[C@@H]2C
InChIInChI=1S/C11H17N/c1-7-4-8(2)11-6-12-9(3)5-10(7)11/h6-9H,4-5H2,1-3H3/t7-,8+,9?/m0/s1
InChIKeyOJENSTNTGIPLJA-ZQTLJVIJSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds

About (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine

(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine (PubChem CID 130337306) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
PubChem CID130337306
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine
SMILESCC1CC2=C(C=N1)[C@H](C)C[C@@H]2C
InChIInChI=1S/C11H17N/c1-7-4-8(2)11-6-12-9(3)5-10(7)11/h6-9H,4-5H2,1-3H3/t7-,8+,9?/m0/s1
InChIKeyOJENSTNTGIPLJA-ZQTLJVIJSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The IUPAC name of (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine (CID 130337306) is (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine.
What is the SMILES notation for (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The canonical SMILES for (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine is CC1CC2=C(C=N1)[C@H](C)C[C@@H]2C.
What is the InChIKey of (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
The InChIKey is OJENSTNTGIPLJA-ZQTLJVIJSA-N. The full InChI is InChI=1S/C11H17N/c1-7-4-8(2)11-6-12-9(3)5-10(7)11/h6-9H,4-5H2,1-3H3/t7-,8+,9?/m0/s1.
What are the key properties of (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine?
(5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3,5,7-trimethyl-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyridine is sourced from PubChem (CID 130337306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).