(2S)-4-but-3-ynyl-2-methylmorpholine

C9H15NO — CID 127004547

IUPAC(2S)-4-but-3-ynyl-2-methylmorpholine
SMILESC#CCCN1CCO[C@@H](C)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-10-6-7-11-9(2)8-10/h1,9H,4-8H2,2H3/t9-/m0/s1
InChIKeyYSBYLWRPVYWUPG-VIFPVBQESA-N
MW153.22 g/mol
LogP0.73
Rot. Bonds2

About (2S)-4-but-3-ynyl-2-methylmorpholine

(2S)-4-but-3-ynyl-2-methylmorpholine (PubChem CID 127004547) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2S)-4-but-3-ynyl-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-but-3-ynyl-2-methylmorpholine
PubChem CID127004547
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2S)-4-but-3-ynyl-2-methylmorpholine
SMILESC#CCCN1CCO[C@@H](C)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-10-6-7-11-9(2)8-10/h1,9H,4-8H2,2H3/t9-/m0/s1
InChIKeyYSBYLWRPVYWUPG-VIFPVBQESA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
CID 124874777
4-(2-methylmorpholin-4-yl)butanimidamide
CID 24700284
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
(4-pent-4-ynylmorpholin-2-yl)methanol
CID 115873222
N-methyl-3-(2-methylmorpholin-4-yl)propanamide
CID 131041683
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012

Frequently Asked Questions

What is the IUPAC name of (2S)-4-but-3-ynyl-2-methylmorpholine?
The IUPAC name of (2S)-4-but-3-ynyl-2-methylmorpholine (CID 127004547) is (2S)-4-but-3-ynyl-2-methylmorpholine.
What is the SMILES notation for (2S)-4-but-3-ynyl-2-methylmorpholine?
The canonical SMILES for (2S)-4-but-3-ynyl-2-methylmorpholine is C#CCCN1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-4-but-3-ynyl-2-methylmorpholine?
The InChIKey is YSBYLWRPVYWUPG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-10-6-7-11-9(2)8-10/h1,9H,4-8H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-4-but-3-ynyl-2-methylmorpholine?
(2S)-4-but-3-ynyl-2-methylmorpholine has a molecular weight of 153.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-but-3-ynyl-2-methylmorpholine is sourced from PubChem (CID 127004547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).