1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine

C19H21N — CID 131997914

IUPAC1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCC1=C=C(c2cccc(N3CC=CCC3)c2)C(C)=C1C
InChIInChI=1S/C19H21N/c1-14-12-19(16(3)15(14)2)17-8-7-9-18(13-17)20-10-5-4-6-11-20/h4-5,7-9,13H,6,10-11H2,1-3H3
InChIKeyWNSYGHJUKYUBGN-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.73
Rot. Bonds2

About 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine

1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 131997914) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID131997914
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine
SMILESCC1=C=C(c2cccc(N3CC=CCC3)c2)C(C)=C1C
InChIInChI=1S/C19H21N/c1-14-12-19(16(3)15(14)2)17-8-7-9-18(13-17)20-10-5-4-6-11-20/h4-5,7-9,13H,6,10-11H2,1-3H3
InChIKeyWNSYGHJUKYUBGN-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.73
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-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine (CID 131997914) is 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine is CC1=C=C(c2cccc(N3CC=CCC3)c2)C(C)=C1C.
What is the InChIKey of 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is WNSYGHJUKYUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-14-12-19(16(3)15(14)2)17-8-7-9-18(13-17)20-10-5-4-6-11-20/h4-5,7-9,13H,6,10-11H2,1-3H3.
What are the key properties of 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine?
1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 263.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,5-trimethylcyclopenta-1,2,4-trien-1-yl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131997914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).