4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine

C12H15N — CID 166775887

IUPAC4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine
SMILESCC1=C(c2ccncc2)CC[C@@H]1C
InChIInChI=1S/C12H15N/c1-9-3-4-12(10(9)2)11-5-7-13-8-6-11/h5-9H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyDIJYORHMAPYKDF-VIFPVBQESA-N
MW173.26 g/mol
LogP3.29
Rot. Bonds1

About 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine

4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine (PubChem CID 166775887) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine.

Molecular Properties

Compound Name4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine
PubChem CID166775887
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine
SMILESCC1=C(c2ccncc2)CC[C@@H]1C
InChIInChI=1S/C12H15N/c1-9-3-4-12(10(9)2)11-5-7-13-8-6-11/h5-9H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyDIJYORHMAPYKDF-VIFPVBQESA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine?
The IUPAC name of 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine (CID 166775887) is 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine.
What is the SMILES notation for 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine?
The canonical SMILES for 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine is CC1=C(c2ccncc2)CC[C@@H]1C.
What is the InChIKey of 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine?
The InChIKey is DIJYORHMAPYKDF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N/c1-9-3-4-12(10(9)2)11-5-7-13-8-6-11/h5-9H,3-4H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine?
4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine is sourced from PubChem (CID 166775887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).