6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine

C13H21N — CID 23209982

IUPAC6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=CC1C1CCC=CCC1
InChIInChI=1S/C13H21N/c1-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6,10,12-13H,4-5,7-9,11H2,1H3
InChIKeyUONPANDAEVPNFI-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.99
Rot. Bonds1

About 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine

6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 23209982) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID23209982
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=CC1C1CCC=CCC1
InChIInChI=1S/C13H21N/c1-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6,10,12-13H,4-5,7-9,11H2,1H3
InChIKeyUONPANDAEVPNFI-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.99
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 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine (CID 23209982) is 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=CC1C1CCC=CCC1.
What is the InChIKey of 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is UONPANDAEVPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-3,6,10,12-13H,4-5,7-9,11H2,1H3.
What are the key properties of 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine?
6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohept-4-en-1-yl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 23209982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).