(2R)-2-but-1-ynyl-2-methylmorpholine

C9H15NO — CID 121345131

IUPAC(2R)-2-but-1-ynyl-2-methylmorpholine
SMILESCCC#C[C@]1(C)CNCCO1
InChIInChI=1S/C9H15NO/c1-3-4-5-9(2)8-10-6-7-11-9/h10H,3,6-8H2,1-2H3/t9-/m1/s1
InChIKeyNBMBURJKKQKWIM-SECBINFHSA-N
MW153.22 g/mol
LogP0.78
Rot. Bonds

About (2R)-2-but-1-ynyl-2-methylmorpholine

(2R)-2-but-1-ynyl-2-methylmorpholine (PubChem CID 121345131) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R)-2-but-1-ynyl-2-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-but-1-ynyl-2-methylmorpholine
PubChem CID121345131
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R)-2-but-1-ynyl-2-methylmorpholine
SMILESCCC#C[C@]1(C)CNCCO1
InChIInChI=1S/C9H15NO/c1-3-4-5-9(2)8-10-6-7-11-9/h10H,3,6-8H2,1-2H3/t9-/m1/s1
InChIKeyNBMBURJKKQKWIM-SECBINFHSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethylmorpholine
CID 18959674
2,2,6-Trimethylmorpholine
CID 17977795
2-Ethyl-2-methylmorpholine
CID 19357449
(5R)-2,2,5-trimethylmorpholine
CID 39234988
5-Ethyl-2,2-dimethylmorpholine
CID 43591690
17-Dimethylmorpholinium chloride
CID 67505740
2-Ethynylmorpholine
CID 21460082
2,2-Dimethylmorpholine hydrochloride
CID 22036888
2,2,5,5-Tetramethylmorpholine
CID 28806233
(5S)-2,2,5-trimethylmorpholine
CID 39234992
(6S)-2,2,6-trimethylmorpholine
CID 39234999
2,2,5-Trimethylmorpholine
CID 43591691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-but-1-ynyl-2-methylmorpholine?
The IUPAC name of (2R)-2-but-1-ynyl-2-methylmorpholine (CID 121345131) is (2R)-2-but-1-ynyl-2-methylmorpholine.
What is the SMILES notation for (2R)-2-but-1-ynyl-2-methylmorpholine?
The canonical SMILES for (2R)-2-but-1-ynyl-2-methylmorpholine is CCC#C[C@]1(C)CNCCO1.
What is the InChIKey of (2R)-2-but-1-ynyl-2-methylmorpholine?
The InChIKey is NBMBURJKKQKWIM-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-9(2)8-10-6-7-11-9/h10H,3,6-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-but-1-ynyl-2-methylmorpholine?
(2R)-2-but-1-ynyl-2-methylmorpholine has a molecular weight of 153.22 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-1-ynyl-2-methylmorpholine is sourced from PubChem (CID 121345131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).