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

C12H17N — CID 67259736

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(N2CC=CCC2)C=CC=CC1
InChIInChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8H,7,9-11H2,1H3
InChIKeyYYNWDKOKDLIANV-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.52
Rot. Bonds1

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

1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine (PubChem CID 67259736) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
PubChem CID67259736
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(N2CC=CCC2)C=CC=CC1
InChIInChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8H,7,9-11H2,1H3
InChIKeyYYNWDKOKDLIANV-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 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 ≤ 52.52
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-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine (CID 67259736) is 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine is CC1(N2CC=CCC2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is YYNWDKOKDLIANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-12(8-4-2-5-9-12)13-10-6-3-7-11-13/h2-6,8H,7,9-11H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine?
1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 175.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67259736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).