4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine

C11H15N3O — CID 13043020

IUPAC4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine
SMILESC#CCn1ccnc1CN1CCOCC1
InChIInChI=1S/C11H15N3O/c1-2-4-14-5-3-12-11(14)10-13-6-8-15-9-7-13/h1,3,5H,4,6-10H2
InChIKeyBKWUGIBQOYBFCR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.35
Rot. Bonds3

About 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine

4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine (PubChem CID 13043020) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine
PubChem CID13043020
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine
SMILESC#CCn1ccnc1CN1CCOCC1
InChIInChI=1S/C11H15N3O/c1-2-4-14-5-3-12-11(14)10-13-6-8-15-9-7-13/h1,3,5H,4,6-10H2
InChIKeyBKWUGIBQOYBFCR-UHFFFAOYSA-N
XLogP0.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
5H,6H,8H-imidazo[2,1-c][1,4]oxazine
CID 21941433
1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
CID 12130697
1H-Imidazolium, 1-((3-butynyloxy)methyl)-2,3-dimethyl-, chloride
CID 3088445
1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-propynyloxy)methyl)-, chloride
CID 135705521
1-(2-methoxyethyl)-1H-imidazole
CID 14366840
3-[1-(3-Hydroxyprop-1-ynyl)imidazol-2-yl]prop-2-yn-1-ol
CID 53387235
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
2-(methoxymethyl)-1-methyl-1H-imidazole
CID 19848332
Imidazole1butyn3YL2hydroxyiminomethyl
CID 136001977
(NE)-N-[[1-methyl-3-(2-morpholin-4-ylethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine;chloride;hydrochloride
CID 136002010

Frequently Asked Questions

What is the IUPAC name of 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine (CID 13043020) is 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine is C#CCn1ccnc1CN1CCOCC1.
What is the InChIKey of 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine?
The InChIKey is BKWUGIBQOYBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-4-14-5-3-12-11(14)10-13-6-8-15-9-7-13/h1,3,5H,4,6-10H2.
What are the key properties of 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine?
4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine has a molecular weight of 205.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-prop-2-ynylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 13043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).