[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone

C10H17NO3 — CID 101259719

IUPAC[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
SMILESC[C@@H]1[C@H](CO)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-7-8(6-12)9(7)10(13)11-2-4-14-5-3-11/h7-9,12H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyLMLYZSYOKMQIQO-HRDYMLBCSA-N
MW199.25 g/mol
LogP-0.28
Rot. Bonds2

About [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone

[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone (PubChem CID 101259719) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
PubChem CID101259719
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
SMILESC[C@@H]1[C@H](CO)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C10H17NO3/c1-7-8(6-12)9(7)10(13)11-2-4-14-5-3-11/h7-9,12H,2-6H2,1H3/t7-,8+,9-/m1/s1
InChIKeyLMLYZSYOKMQIQO-HRDYMLBCSA-N
XLogP-0.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387
methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
CID 70078315
4-morpholin-4-ylpent-3-en-2-one
CID 592427
[(4R,5R)-2,2-dimethyl-5-(morpholine-4-carbonyl)-1,3-dioxolan-4-yl]-morpholin-4-ylmethanone
CID 24881834
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126827528
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
(1R,4S)-3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351952
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone (CID 101259719) is [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone is C[C@@H]1[C@H](CO)[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is LMLYZSYOKMQIQO-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-8(6-12)9(7)10(13)11-2-4-14-5-3-11/h7-9,12H,2-6H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone?
[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 199.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 101259719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).