(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

C11H14ClN — CID 118282262

IUPAC(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)[C@@H]1CCc2cc(Cl)cnc21
InChIInChI=1S/C11H14ClN/c1-7(2)10-4-3-8-5-9(12)6-13-11(8)10/h5-7,10H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyPZWJWUPFQBJEHC-JTQLQIEISA-N
MW195.69 g/mol
LogP3.42
Rot. Bonds1

About (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 118282262) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID118282262
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)[C@@H]1CCc2cc(Cl)cnc21
InChIInChI=1S/C11H14ClN/c1-7(2)10-4-3-8-5-9(12)6-13-11(8)10/h5-7,10H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyPZWJWUPFQBJEHC-JTQLQIEISA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 118282262) is (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is CC(C)[C@@H]1CCc2cc(Cl)cnc21.
What is the InChIKey of (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is PZWJWUPFQBJEHC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClN/c1-7(2)10-4-3-8-5-9(12)6-13-11(8)10/h5-7,10H,3-4H2,1-2H3/t10-/m0/s1.
What are the key properties of (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 195.69 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 118282262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).