(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone

C11H18N2O2 — CID 114409548

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone
SMILESCC1=CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C11H18N2O2/c1-9-2-5-13(6-3-9)11(14)10-8-12-4-7-15-10/h2,10,12H,3-8H2,1H3
InChIKeyWCHLJRQSNRSERC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds1

About (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone (PubChem CID 114409548) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone
PubChem CID114409548
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone
SMILESCC1=CCN(C(=O)C2CNCCO2)CC1
InChIInChI=1S/C11H18N2O2/c1-9-2-5-13(6-3-9)11(14)10-8-12-4-7-15-10/h2,10,12H,3-8H2,1H3
InChIKeyWCHLJRQSNRSERC-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone (CID 114409548) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone is CC1=CCN(C(=O)C2CNCCO2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone?
The InChIKey is WCHLJRQSNRSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-2-5-13(6-3-9)11(14)10-8-12-4-7-15-10/h2,10,12H,3-8H2,1H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone has a molecular weight of 210.28 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 114409548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).