(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine

C8H13N — CID 143520020

IUPAC(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine
SMILESC/C=C1\CCCN=C1C
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9-7(8)2/h3H,4-6H2,1-2H3/b8-3+
InChIKeyOTPZKEIVFKGPAP-FPYGCLRLSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine

(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine (PubChem CID 143520020) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine
PubChem CID143520020
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine
SMILESC/C=C1\CCCN=C1C
InChIInChI=1S/C8H13N/c1-3-8-5-4-6-9-7(8)2/h3H,4-6H2,1-2H3/b8-3+
InChIKeyOTPZKEIVFKGPAP-FPYGCLRLSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine (CID 143520020) is (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine is C/C=C1\CCCN=C1C.
What is the InChIKey of (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is OTPZKEIVFKGPAP-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-5-4-6-9-7(8)2/h3H,4-6H2,1-2H3/b8-3+.
What are the key properties of (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine?
(5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-6-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 143520020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).