1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone

C9H13N3O — CID 116583786

IUPAC1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1CNC1
InChIInChI=1S/C9H13N3O/c1-12-3-2-11-9(12)4-8(13)7-5-10-6-7/h2-3,7,10H,4-6H2,1H3
InChIKeyMLGWQFDDNWUNSM-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.25
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone

1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 116583786) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID116583786
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1CNC1
InChIInChI=1S/C9H13N3O/c1-12-3-2-11-9(12)4-8(13)7-5-10-6-7/h2-3,7,10H,4-6H2,1H3
InChIKeyMLGWQFDDNWUNSM-UHFFFAOYSA-N
XLogP-0.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
1-(4-aminooxolan-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116587551
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone (CID 116583786) is 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is MLGWQFDDNWUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-3-2-11-9(12)4-8(13)7-5-10-6-7/h2-3,7,10H,4-6H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone?
1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 116583786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).