1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone

C11H19NO2 — CID 106316933

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone
SMILESCC1=CCCN(C(=O)COC(C)C)C1
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11(13)12-6-4-5-10(3)7-12/h5,9H,4,6-8H2,1-3H3
InChIKeyBEBDRPMNCFOPDA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 106316933) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone
PubChem CID106316933
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone
SMILESCC1=CCCN(C(=O)COC(C)C)C1
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11(13)12-6-4-5-10(3)7-12/h5,9H,4,6-8H2,1-3H3
InChIKeyBEBDRPMNCFOPDA-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone (CID 106316933) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone is CC1=CCCN(C(=O)COC(C)C)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is BEBDRPMNCFOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-8-11(13)12-6-4-5-10(3)7-12/h5,9H,4,6-8H2,1-3H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 197.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 106316933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).