4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine

C11H13N — CID 123878577

IUPAC4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine
SMILESC=C=CC1N=C(C)C=C(C)C1=C
InChIInChI=1S/C11H13N/c1-5-6-11-10(4)8(2)7-9(3)12-11/h6-7,11H,1,4H2,2-3H3
InChIKeyLHGACFIXQZMKQB-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.67
Rot. Bonds1

About 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine

4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine (PubChem CID 123878577) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine
PubChem CID123878577
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine
SMILESC=C=CC1N=C(C)C=C(C)C1=C
InChIInChI=1S/C11H13N/c1-5-6-11-10(4)8(2)7-9(3)12-11/h6-7,11H,1,4H2,2-3H3
InChIKeyLHGACFIXQZMKQB-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-methyl-2H-indole
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2,8-Dihydroquinoline
CID 53423727
2,4,6-Trimethyl-2,3-dihydropyridine
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4,6-dimethyl-3-methylidene-2H-pyridine
CID 58181134
N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 58220554
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine?
The IUPAC name of 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine (CID 123878577) is 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine.
What is the SMILES notation for 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine?
The canonical SMILES for 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine is C=C=CC1N=C(C)C=C(C)C1=C.
What is the InChIKey of 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine?
The InChIKey is LHGACFIXQZMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-5-6-11-10(4)8(2)7-9(3)12-11/h6-7,11H,1,4H2,2-3H3.
What are the key properties of 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine?
4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-methylidene-2-propa-1,2-dienyl-2H-pyridine is sourced from PubChem (CID 123878577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).