5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine

C13H17N — CID 123572762

IUPAC5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine
SMILESCC1=CC=C(C=C2C=NCCC2)CC1
InChIInChI=1S/C13H17N/c1-11-4-6-12(7-5-11)9-13-3-2-8-14-10-13/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeyREXUZXZKNCXYLK-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.44
Rot. Bonds1

About 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine

5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine (PubChem CID 123572762) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine
PubChem CID123572762
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine
SMILESCC1=CC=C(C=C2C=NCCC2)CC1
InChIInChI=1S/C13H17N/c1-11-4-6-12(7-5-11)9-13-3-2-8-14-10-13/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeyREXUZXZKNCXYLK-UHFFFAOYSA-N
XLogP3.44
TPSA12.36 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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
2-fluoro-N-methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)but-2-en-1-imine
CID 173596066
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 174137830
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
copper(1+);N-cyclohexyl-1-phenylmethanimine
CID 135046006
N-cyclohexyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 18293350
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
6-methylidene-4,7-dihydro-1H-isoquinoline
CID 57125600
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
(2E)-N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
CID 60138487
(2E,6E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,6,11-trien-1-imine
CID 60138502

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine (CID 123572762) is 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine is CC1=CC=C(C=C2C=NCCC2)CC1.
What is the InChIKey of 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine?
The InChIKey is REXUZXZKNCXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-4-6-12(7-5-11)9-13-3-2-8-14-10-13/h4,6,9-10H,2-3,5,7-8H2,1H3.
What are the key properties of 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine?
5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcyclohexa-1,3-dien-1-yl)methylidene]-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).