(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C11H13N3 — CID 177054072

IUPAC(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN[C@H]1Cc2cc(C#N)cnc2C1
InChIInChI=1S/C11H13N3/c1-2-13-10-4-9-3-8(6-12)7-14-11(9)5-10/h3,7,10,13H,2,4-5H2,1H3/t10-/m0/s1
InChIKeyQENVBWVSRJWKSF-JTQLQIEISA-N
MW187.25 g/mol
LogP1.03
Rot. Bonds2

About (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 177054072) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID177054072
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN[C@H]1Cc2cc(C#N)cnc2C1
InChIInChI=1S/C11H13N3/c1-2-13-10-4-9-3-8(6-12)7-14-11(9)5-10/h3,7,10,13H,2,4-5H2,1H3/t10-/m0/s1
InChIKeyQENVBWVSRJWKSF-JTQLQIEISA-N
XLogP1.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 177054072) is (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCN[C@H]1Cc2cc(C#N)cnc2C1.
What is the InChIKey of (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QENVBWVSRJWKSF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3/c1-2-13-10-4-9-3-8(6-12)7-14-11(9)5-10/h3,7,10,13H,2,4-5H2,1H3/t10-/m0/s1.
What are the key properties of (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 177054072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).