2-(3-but-3-ynylimidazol-4-yl)morpholine

C11H15N3O — CID 114720452

IUPAC2-(3-but-3-ynylimidazol-4-yl)morpholine
SMILESC#CCCn1cncc1C1CNCCO1
InChIInChI=1S/C11H15N3O/c1-2-3-5-14-9-13-7-10(14)11-8-12-4-6-15-11/h1,7,9,11-12H,3-6,8H2
InChIKeyWRUDVFBTOWEAKS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.57
Rot. Bonds3

About 2-(3-but-3-ynylimidazol-4-yl)morpholine

2-(3-but-3-ynylimidazol-4-yl)morpholine (PubChem CID 114720452) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-but-3-ynylimidazol-4-yl)morpholine.

Molecular Properties

Compound Name2-(3-but-3-ynylimidazol-4-yl)morpholine
PubChem CID114720452
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(3-but-3-ynylimidazol-4-yl)morpholine
SMILESC#CCCn1cncc1C1CNCCO1
InChIInChI=1S/C11H15N3O/c1-2-3-5-14-9-13-7-10(14)11-8-12-4-6-15-11/h1,7,9,11-12H,3-6,8H2
InChIKeyWRUDVFBTOWEAKS-UHFFFAOYSA-N
XLogP0.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
CID 114716555
2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
CID 114717096
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]morpholine
CID 107165712
N-tert-butyl-3-(5-morpholin-2-ylimidazol-1-yl)propanamide
CID 114721907
2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
CID 114721231
2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947

Frequently Asked Questions

What is the IUPAC name of 2-(3-but-3-ynylimidazol-4-yl)morpholine?
The IUPAC name of 2-(3-but-3-ynylimidazol-4-yl)morpholine (CID 114720452) is 2-(3-but-3-ynylimidazol-4-yl)morpholine.
What is the SMILES notation for 2-(3-but-3-ynylimidazol-4-yl)morpholine?
The canonical SMILES for 2-(3-but-3-ynylimidazol-4-yl)morpholine is C#CCCn1cncc1C1CNCCO1.
What is the InChIKey of 2-(3-but-3-ynylimidazol-4-yl)morpholine?
The InChIKey is WRUDVFBTOWEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-5-14-9-13-7-10(14)11-8-12-4-6-15-11/h1,7,9,11-12H,3-6,8H2.
What are the key properties of 2-(3-but-3-ynylimidazol-4-yl)morpholine?
2-(3-but-3-ynylimidazol-4-yl)morpholine has a molecular weight of 205.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-but-3-ynylimidazol-4-yl)morpholine is sourced from PubChem (CID 114720452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).