ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

C11H17N — CID 170960546

IUPACethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.C[C@H]1CCc2cnccc21
InChIInChI=1S/C9H11N.C2H6/c1-7-2-3-8-6-10-5-4-9(7)8;1-2/h4-7H,2-3H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyVRGPWKKFBMZCHC-FJXQXJEOSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds

About ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine

ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 170960546) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Nameethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID170960546
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCC.C[C@H]1CCc2cnccc21
InChIInChI=1S/C9H11N.C2H6/c1-7-2-3-8-6-10-5-4-9(7)8;1-2/h4-7H,2-3H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyVRGPWKKFBMZCHC-FJXQXJEOSA-N
XLogP3.16
TPSA12.89 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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 170960546) is ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is CC.C[C@H]1CCc2cnccc21.
What is the InChIKey of ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is VRGPWKKFBMZCHC-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-7-2-3-8-6-10-5-4-9(7)8;1-2/h4-7H,2-3H2,1H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine?
ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5S)-5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 170960546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).