2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one

C11H14N2O2 — CID 58597359

IUPAC2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one
SMILESCc1ncccc1CC1OCCNC1=O
InChIInChI=1S/C11H14N2O2/c1-8-9(3-2-4-12-8)7-10-11(14)13-5-6-15-10/h2-4,10H,5-7H2,1H3,(H,13,14)
InChIKeyFMEXIJPZZIFTJM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.45
Rot. Bonds2

About 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one

2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one (PubChem CID 58597359) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one
PubChem CID58597359
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one
SMILESCc1ncccc1CC1OCCNC1=O
InChIInChI=1S/C11H14N2O2/c1-8-9(3-2-4-12-8)7-10-11(14)13-5-6-15-10/h2-4,10H,5-7H2,1H3,(H,13,14)
InChIKeyFMEXIJPZZIFTJM-UHFFFAOYSA-N
XLogP0.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid (4-fluoro-benzylcarbamoyl)-pyridin-2-yl-methyl ester
CID 3230485
(4Z)-4-butylidene-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725183
(3aR,5R,7aR)-1-(cyclopropylmethyl)-N-(2-pyridin-4-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97415837
(3aR,5S,7aR)-N-(oxan-4-ylmethyl)-1-(pyridin-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461429
(3aR,5R,7aR)-1-cyclobutyl-N-(2-pyridin-4-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461758
6-[4-(2-methoxyacetyl)morpholin-2-yl]-N-methylpyridine-3-carboxamide
CID 110269002
2-methoxy-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 2898597
(4Z)-4-(2-phenylethylidene)-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725222
Oxolan-2-yl-[4-[2-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]methanone
CID 51000569
N-[(2-Phenylpyridin-3-YL)methyl]oxolane-2-carboxamide
CID 53148307
3-(2-Methoxyethoxy)-1-(piperidin-4-YL)-4-(pyridin-4-YL)azetidin-2-one
CID 86820575
3-Methoxy-1-(piperidin-4-YL)-4-(pyridin-4-YL)azetidin-2-one
CID 90488098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one (CID 58597359) is 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one is Cc1ncccc1CC1OCCNC1=O.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one?
The InChIKey is FMEXIJPZZIFTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-9(3-2-4-12-8)7-10-11(14)13-5-6-15-10/h2-4,10H,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one?
2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)methyl]morpholin-3-one is sourced from PubChem (CID 58597359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).