(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol

C11H19NO2 — CID 102935514

IUPAC(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol
SMILESCC#CCCN1CC(C)OC(CO)C1
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-12-7-10(2)14-11(8-12)9-13/h10-11,13H,5-9H2,1-2H3
InChIKeyWYGHPAYJYQSTPW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.48
Rot. Bonds3

About (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol

(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol (PubChem CID 102935514) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol
PubChem CID102935514
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol
SMILESCC#CCCN1CC(C)OC(CO)C1
InChIInChI=1S/C11H19NO2/c1-3-4-5-6-12-7-10(2)14-11(8-12)9-13/h10-11,13H,5-9H2,1-2H3
InChIKeyWYGHPAYJYQSTPW-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propanamide
CID 102935428
[(2S,6S)-4-(5-fluoropentyl)-6-methylmorpholin-2-yl]methanol
CID 124842414
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]ethanol
CID 102934999
[4-(2-azidoethyl)-6-methylmorpholin-2-yl]methanol
CID 102935371
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]acetamide
CID 102935847
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propanehydrazide
CID 102938189
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
potassium trifluoro-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]boranuide
CID 102938204
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
CID 102933584
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol?
The IUPAC name of (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol (CID 102935514) is (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol.
What is the SMILES notation for (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol?
The canonical SMILES for (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol is CC#CCCN1CC(C)OC(CO)C1.
What is the InChIKey of (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol?
The InChIKey is WYGHPAYJYQSTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-5-6-12-7-10(2)14-11(8-12)9-13/h10-11,13H,5-9H2,1-2H3.
What are the key properties of (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol?
(6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-pent-3-ynylmorpholin-2-yl)methanol is sourced from PubChem (CID 102935514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).