(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine

C11H19N — CID 174286987

IUPAC(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine
SMILESCC/C=C\C1N=CCC(C)[C@H]1C
InChIInChI=1S/C11H19N/c1-4-5-6-11-10(3)9(2)7-8-12-11/h5-6,8-11H,4,7H2,1-3H3/b6-5-/t9?,10-,11?/m1/s1
InChIKeyPYEQCFSPBCNNTC-IDKZTGHVSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds2

About (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine

(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine (PubChem CID 174286987) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine
PubChem CID174286987
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine
SMILESCC/C=C\C1N=CCC(C)[C@H]1C
InChIInChI=1S/C11H19N/c1-4-5-6-11-10(3)9(2)7-8-12-11/h5-6,8-11H,4,7H2,1-3H3/b6-5-/t9?,10-,11?/m1/s1
InChIKeyPYEQCFSPBCNNTC-IDKZTGHVSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
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 (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine (CID 174286987) is (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine is CC/C=C\C1N=CCC(C)[C@H]1C.
What is the InChIKey of (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine?
The InChIKey is PYEQCFSPBCNNTC-IDKZTGHVSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-6-11-10(3)9(2)7-8-12-11/h5-6,8-11H,4,7H2,1-3H3/b6-5-/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine?
(3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(Z)-but-1-enyl]-3,4-dimethyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 174286987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).