(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine

C9H15N — CID 123991276

IUPAC(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine
SMILESC/C=C1/C=NCCC1(C)C
InChIInChI=1S/C9H15N/c1-4-8-7-10-6-5-9(8,2)3/h4,7H,5-6H2,1-3H3/b8-4-
InChIKeyRSCXWLDPPRMGHB-YWEYNIOJSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds

About (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine

(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine (PubChem CID 123991276) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine
PubChem CID123991276
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine
SMILESC/C=C1/C=NCCC1(C)C
InChIInChI=1S/C9H15N/c1-4-8-7-10-6-5-9(8,2)3/h4,7H,5-6H2,1-3H3/b8-4-
InChIKeyRSCXWLDPPRMGHB-YWEYNIOJSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
5-ethenyl-3,5-diethyl-2H-pyridine
CID 21445150
4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
3,4,4a,7-Tetrahydroisoquinoline
CID 53727755
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
5-Propyl-2,3-dihydropyridine
CID 67965940
5-But-3-enyl-4-methyl-2,3-dihydropyridine
CID 70267509
4-(2,2-dimethylpropyl)-2H-pyrrole
CID 89113097
5-Tert-butyl-2,3-dihydropyridine
CID 91382897
4-Ethylidene-5-methylidene-2,3-dihydropyridine
CID 123558944

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine (CID 123991276) is (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine is C/C=C1/C=NCCC1(C)C.
What is the InChIKey of (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine?
The InChIKey is RSCXWLDPPRMGHB-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H15N/c1-4-8-7-10-6-5-9(8,2)3/h4,7H,5-6H2,1-3H3/b8-4-.
What are the key properties of (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine?
(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123991276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).