[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol

C11H21NO2 — CID 81218750

IUPAC[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CC(CO)OCC1C
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-12-6-11(7-13)14-8-10(12)3/h4,10-11,13H,5-8H2,1-3H3
InChIKeyZMWSIPNCNMKMTL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.03
Rot. Bonds3

About [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol

[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (PubChem CID 81218750) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
PubChem CID81218750
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CC(CO)OCC1C
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-12-6-11(7-13)14-8-10(12)3/h4,10-11,13H,5-8H2,1-3H3
InChIKeyZMWSIPNCNMKMTL-UHFFFAOYSA-N
XLogP1.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.03
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 [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (CID 81218750) is [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is CC(C)=CCN1CC(CO)OCC1C.
What is the InChIKey of [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The InChIKey is ZMWSIPNCNMKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)4-5-12-6-11(7-13)14-8-10(12)3/h4,10-11,13H,5-8H2,1-3H3.
What are the key properties of [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).