(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine

C12H19N — CID 134838483

IUPAC(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
SMILESC=CC[C@@H](C)C1=CC=C[C@H](C)N1C
InChIInChI=1S/C12H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)4/h5-6,8-11H,1,7H2,2-4H3/t10-,11+/m1/s1
InChIKeyOLZZBNZSGCIPGR-MNOVXSKESA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds3

About (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine

(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine (PubChem CID 134838483) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
PubChem CID134838483
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
SMILESC=CC[C@@H](C)C1=CC=C[C@H](C)N1C
InChIInChI=1S/C12H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)4/h5-6,8-11H,1,7H2,2-4H3/t10-,11+/m1/s1
InChIKeyOLZZBNZSGCIPGR-MNOVXSKESA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine?
The IUPAC name of (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine (CID 134838483) is (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine.
What is the SMILES notation for (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine?
The canonical SMILES for (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine is C=CC[C@@H](C)C1=CC=C[C@H](C)N1C.
What is the InChIKey of (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine?
The InChIKey is OLZZBNZSGCIPGR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19N/c1-5-7-10(2)12-9-6-8-11(3)13(12)4/h5-6,8-11H,1,7H2,2-4H3/t10-,11+/m1/s1.
What are the key properties of (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine?
(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine is sourced from PubChem (CID 134838483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).