(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone

C12H16N2O2 — CID 79077110

IUPAC(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CN(C)CCO1
InChIInChI=1S/C12H16N2O2/c1-9-3-4-13-7-10(9)12(15)11-8-14(2)5-6-16-11/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyHMOXLACQNXYPPT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.90
Rot. Bonds2

About (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone

(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 79077110) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID79077110
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CN(C)CCO1
InChIInChI=1S/C12H16N2O2/c1-9-3-4-13-7-10(9)12(15)11-8-14(2)5-6-16-11/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyHMOXLACQNXYPPT-UHFFFAOYSA-N
XLogP0.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone (CID 79077110) is (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)C1CN(C)CCO1.
What is the InChIKey of (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is HMOXLACQNXYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-4-13-7-10(9)12(15)11-8-14(2)5-6-16-11/h3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone?
(4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 220.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 79077110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).