(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C12H17N — CID 89333129

IUPAC(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCC1Cc2cccnc2[C@H]1CC
InChIInChI=1S/C12H17N/c1-3-9-8-10-6-5-7-13-12(10)11(9)4-2/h5-7,9,11H,3-4,8H2,1-2H3/t9?,11-/m0/s1
InChIKeyVHGQSDBXJVLZEU-UMJHXOGRSA-N
MW175.28 g/mol
LogP3.16
Rot. Bonds2

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

(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 89333129) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID89333129
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCC1Cc2cccnc2[C@H]1CC
InChIInChI=1S/C12H17N/c1-3-9-8-10-6-5-7-13-12(10)11(9)4-2/h5-7,9,11H,3-4,8H2,1-2H3/t9?,11-/m0/s1
InChIKeyVHGQSDBXJVLZEU-UMJHXOGRSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 71155361
2-(2-ethylcyclopropyl)-3-methylpyridine
CID 166907967
2-tert-butyl-3-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 70928178
8-ethyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 167009222
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
ethyl 8-hydroxy-5,6,7,8-tetrahydroquinoline-6-carboxylate
CID 86614352
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
CID 160543917
2-ethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 90142368
7-methyl-6-[2-(2-methylcycloheptyl)ethyl]-5a,6,7,8,9,9a-hexahydro-5H-indeno[1,2-b]pyridine
CID 142945021
8-methyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine 6-oxide
CID 130251279
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 89333129) is (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is CCC1Cc2cccnc2[C@H]1CC.
What is the InChIKey of (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is VHGQSDBXJVLZEU-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H17N/c1-3-9-8-10-6-5-7-13-12(10)11(9)4-2/h5-7,9,11H,3-4,8H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 175.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 89333129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).