1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone

C10H15N3O2 — CID 147910968

IUPAC1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone
SMILESCOC1(c2nccn2C)CN(C(C)=O)C1
InChIInChI=1S/C10H15N3O2/c1-8(14)13-6-10(7-13,15-3)9-11-4-5-12(9)2/h4-5H,6-7H2,1-3H3
InChIKeyIGCRZYSSGVVTIB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.12
Rot. Bonds2

About 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone

1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone (PubChem CID 147910968) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone
PubChem CID147910968
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone
SMILESCOC1(c2nccn2C)CN(C(C)=O)C1
InChIInChI=1S/C10H15N3O2/c1-8(14)13-6-10(7-13,15-3)9-11-4-5-12(9)2/h4-5H,6-7H2,1-3H3
InChIKeyIGCRZYSSGVVTIB-UHFFFAOYSA-N
XLogP0.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]propan-1-one
CID 166418106
1-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)azepan-1-yl]ethanone
CID 124952993
ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole
CID 178114894
4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138008269
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 138008409
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452666
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 123381953
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
6-(1-methylimidazol-2-yl)-1,4-dithiepan-6-ol
CID 125495336

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone (CID 147910968) is 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone is COC1(c2nccn2C)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone?
The InChIKey is IGCRZYSSGVVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)13-6-10(7-13,15-3)9-11-4-5-12(9)2/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone?
1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone has a molecular weight of 209.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 147910968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).