1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine

C13H19N — CID 174811498

IUPAC1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1(N2CC=CCC2)C=CC=CC1
InChIInChI=1S/C13H19N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9H,2,8,10-12H2,1H3
InChIKeyQKBRMWYOSWRDQP-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.91
Rot. Bonds2

About 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine

1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine (PubChem CID 174811498) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
PubChem CID174811498
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCCC1(N2CC=CCC2)C=CC=CC1
InChIInChI=1S/C13H19N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9H,2,8,10-12H2,1H3
InChIKeyQKBRMWYOSWRDQP-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine (CID 174811498) is 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine is CCC1(N2CC=CCC2)C=CC=CC1.
What is the InChIKey of 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is QKBRMWYOSWRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-13(9-5-3-6-10-13)14-11-7-4-8-12-14/h3-7,9H,2,8,10-12H2,1H3.
What are the key properties of 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 189.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174811498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).