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

C10H19NO2 — CID 79834137

IUPAC[4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CCOC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(2)3-4-11-5-6-13-10(7-11)8-12/h3,10,12H,4-8H2,1-2H3
InChIKeyARUATRUMPVWDAC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds3

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

[4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (PubChem CID 79834137) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
PubChem CID79834137
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CCOC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(2)3-4-11-5-6-13-10(7-11)8-12/h3,10,12H,4-8H2,1-2H3
InChIKeyARUATRUMPVWDAC-UHFFFAOYSA-N
XLogP0.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.65
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 [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (CID 79834137) is [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is CC(C)=CCN1CCOC(CO)C1.
What is the InChIKey of [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The InChIKey is ARUATRUMPVWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)3-4-11-5-6-13-10(7-11)8-12/h3,10,12H,4-8H2,1-2H3.
What are the key properties of [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
[4-(3-methylbut-2-enyl)morpholin-2-yl]methanol has a molecular weight of 185.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is sourced from PubChem (CID 79834137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).