3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone

C13H19NO — CID 3053003

IUPAC3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone
SMILESCC1CC=CCC1C(=O)N1CC=CCC1
InChIInChI=1S/C13H19NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h2-5,11-12H,6-10H2,1H3
InChIKeyXOSMTRXKSZLBST-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone

3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone (PubChem CID 3053003) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone
PubChem CID3053003
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone
SMILESCC1CC=CCC1C(=O)N1CC=CCC1
InChIInChI=1S/C13H19NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h2-5,11-12H,6-10H2,1H3
InChIKeyXOSMTRXKSZLBST-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
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 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone (CID 3053003) is 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone is CC1CC=CCC1C(=O)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone?
The InChIKey is XOSMTRXKSZLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone has a molecular weight of 205.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(6-methylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 3053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).