(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol

C8H16N2O2 — CID 81212956

IUPAC(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
SMILES[H]/N=C(\C)N1CC(CO)OCC1C
InChIInChI=1S/C8H16N2O2/c1-6-5-12-8(4-11)3-10(6)7(2)9/h6,8-9,11H,3-5H2,1-2H3/b9-7+
InChIKeyCRCCZZCOMHAOKK-VQHVLOKHSA-N
MW172.23 g/mol
LogP0.07
Rot. Bonds1

About (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol

(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol (PubChem CID 81212956) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
PubChem CID81212956
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
SMILES[H]/N=C(\C)N1CC(CO)OCC1C
InChIInChI=1S/C8H16N2O2/c1-6-5-12-8(4-11)3-10(6)7(2)9/h6,8-9,11H,3-5H2,1-2H3/b9-7+
InChIKeyCRCCZZCOMHAOKK-VQHVLOKHSA-N
XLogP0.07
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
CID 81212714
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
N'-ethyl-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 81213883
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487

Frequently Asked Questions

What is the IUPAC name of (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol?
The IUPAC name of (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol (CID 81212956) is (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol?
The canonical SMILES for (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol is [H]/N=C(\C)N1CC(CO)OCC1C.
What is the InChIKey of (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol?
The InChIKey is CRCCZZCOMHAOKK-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-5-12-8(4-11)3-10(6)7(2)9/h6,8-9,11H,3-5H2,1-2H3/b9-7+.
What are the key properties of (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol?
(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol has a molecular weight of 172.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethanimidoyl-5-methylmorpholin-2-yl)methanol is sourced from PubChem (CID 81212956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).