2-cyclohexa-1,3-dien-1-ylpyridine;ethane

C13H17N — CID 177335848

IUPAC2-cyclohexa-1,3-dien-1-ylpyridine;ethane
SMILESC1=CCCC(c2ccccn2)=C1.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2/h1-2,4-6,8-9H,3,7H2;1-2H3
InChIKeyPZVSRUWOFRCVAJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.84
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-ylpyridine;ethane

2-cyclohexa-1,3-dien-1-ylpyridine;ethane (PubChem CID 177335848) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-ylpyridine;ethane.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-ylpyridine;ethane
PubChem CID177335848
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-cyclohexa-1,3-dien-1-ylpyridine;ethane
SMILESC1=CCCC(c2ccccn2)=C1.CC
InChIInChI=1S/C11H11N.C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2/h1-2,4-6,8-9H,3,7H2;1-2H3
InChIKeyPZVSRUWOFRCVAJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-6-pyridin-2-ylpyridine
CID 143485808
2-[3-cyclohexa-1,3-dien-1-yl-5-(4-pyridin-2-ylphenyl)phenyl]-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 166649509
2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine
CID 156543167
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
2-cyclohexa-1,3-dien-1-ylsulfanylpyridine
CID 21467889
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-[3-[3-(3-cyclopenta-1,3-dien-1-yl-5-phenylphenyl)phenyl]phenyl]pyridine
CID 140595202
2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine
CID 88585985
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 155203983

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-ylpyridine;ethane?
The IUPAC name of 2-cyclohexa-1,3-dien-1-ylpyridine;ethane (CID 177335848) is 2-cyclohexa-1,3-dien-1-ylpyridine;ethane.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-ylpyridine;ethane?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-ylpyridine;ethane is C1=CCCC(c2ccccn2)=C1.CC.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-ylpyridine;ethane?
The InChIKey is PZVSRUWOFRCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2/h1-2,4-6,8-9H,3,7H2;1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-ylpyridine;ethane?
2-cyclohexa-1,3-dien-1-ylpyridine;ethane has a molecular weight of 187.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-ylpyridine;ethane is sourced from PubChem (CID 177335848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).