2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol

C12H19NO2 — CID 2840553

IUPAC2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
SMILESC=C(C)C(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C12H19NO2/c1-11(2)12(3,14)5-4-6-13-7-9-15-10-8-13/h14H,1,6-10H2,2-3H3
InChIKeyTWTSCHCGPAABMS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.65
Rot. Bonds2

About 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol

2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol (PubChem CID 2840553) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol.

Molecular Properties

Compound Name2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
PubChem CID2840553
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
SMILESC=C(C)C(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C12H19NO2/c1-11(2)12(3,14)5-4-6-13-7-9-15-10-8-13/h14H,1,6-10H2,2-3H3
InChIKeyTWTSCHCGPAABMS-UHFFFAOYSA-N
XLogP0.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-6-morpholin-4-yl-3-propan-2-ylhex-4-yn-3-yl) acetate
CID 685846
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
CID 58998022
CID 58998022
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol
CID 658760
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374
ethane;4-prop-2-ynylmorpholine
CID 144709407
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol?
The IUPAC name of 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol (CID 2840553) is 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol.
What is the SMILES notation for 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol?
The canonical SMILES for 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol is C=C(C)C(C)(O)C#CCN1CCOCC1.
What is the InChIKey of 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol?
The InChIKey is TWTSCHCGPAABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(2)12(3,14)5-4-6-13-7-9-15-10-8-13/h14H,1,6-10H2,2-3H3.
What are the key properties of 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol?
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol is sourced from PubChem (CID 2840553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).