6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine

C11H13N — CID 123137253

IUPAC6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine
SMILESC1=CCCC(C2=CCCC=N2)=C1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-2,6,8-9H,3-5,7H2
InChIKeyWZYVZZRIZFVXKD-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.01
Rot. Bonds1

About 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine

6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine (PubChem CID 123137253) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine
PubChem CID123137253
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine
SMILESC1=CCCC(C2=CCCC=N2)=C1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-2,6,8-9H,3-5,7H2
InChIKeyWZYVZZRIZFVXKD-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 94356
1,5-Dihydroisoquinoline
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9H-Pyrido[4,3-b]indole
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Pyrrolo[2,3-c]carbazole
CID 19960015
Pyrrolo[3,4-c]carbazole
CID 21887285
3,4,5,6-Tetrahydroquinoline
CID 54214651
6h,7h-Quinoline
CID 67835501
Dihydrodibenzazepine
CID 87126010
Azepinoindole
CID 88692169
Methylazepino indole
CID 129789857
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
6-(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)-5-methyl-3,4-dihydropyridine
CID 123581470

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine (CID 123137253) is 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine is C1=CCCC(C2=CCCC=N2)=C1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine?
The InChIKey is WZYVZZRIZFVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-2,6,8-9H,3-5,7H2.
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine?
6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine has a molecular weight of 159.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-3,4-dihydropyridine is sourced from PubChem (CID 123137253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).