(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine

C12H17N — CID 89343280

IUPAC(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine
SMILESC=C1C=CC(C)=N[C@@H]1C/C(C)=C\C
InChIInChI=1S/C12H17N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h5-7,12H,3,8H2,1-2,4H3/b9-5-/t12-/m1/s1
InChIKeyNOVTWYPJZAHCRX-DJTUGOFGSA-N
MW175.27 g/mol
LogP3.30
Rot. Bonds2

About (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine

(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine (PubChem CID 89343280) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine.

Molecular Properties

Compound Name(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine
PubChem CID89343280
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine
SMILESC=C1C=CC(C)=N[C@@H]1C/C(C)=C\C
InChIInChI=1S/C12H17N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h5-7,12H,3,8H2,1-2,4H3/b9-5-/t12-/m1/s1
InChIKeyNOVTWYPJZAHCRX-DJTUGOFGSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.30
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 (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine?
The IUPAC name of (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine (CID 89343280) is (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine.
What is the SMILES notation for (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine?
The canonical SMILES for (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine is C=C1C=CC(C)=N[C@@H]1C/C(C)=C\C.
What is the InChIKey of (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine?
The InChIKey is NOVTWYPJZAHCRX-DJTUGOFGSA-N. The full InChI is InChI=1S/C12H17N/c1-5-9(2)8-12-10(3)6-7-11(4)13-12/h5-7,12H,3,8H2,1-2,4H3/b9-5-/t12-/m1/s1.
What are the key properties of (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine?
(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine has a molecular weight of 175.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine is sourced from PubChem (CID 89343280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).