6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine

C12H17N — CID 146587180

IUPAC6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1=CCC(C2=NCCCC2)C=C1
InChIInChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-7,11H,2-4,8-9H2,1H3
InChIKeyPZBRMQJXSOSGNT-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.13
Rot. Bonds1

About 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine

6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 146587180) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine
PubChem CID146587180
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1=CCC(C2=NCCCC2)C=C1
InChIInChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-7,11H,2-4,8-9H2,1H3
InChIKeyPZBRMQJXSOSGNT-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine (CID 146587180) is 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine is CC1=CCC(C2=NCCCC2)C=C1.
What is the InChIKey of 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is PZBRMQJXSOSGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h5-7,11H,2-4,8-9H2,1H3.
What are the key properties of 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine?
6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 146587180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).