7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one

C13H13N3O2 — CID 170351289

IUPAC7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one
SMILESCC(=O)N1CC(c2ccc3cc(=O)[nH]nc3c2)C1
InChIInChI=1S/C13H13N3O2/c1-8(17)16-6-11(7-16)9-2-3-10-5-13(18)15-14-12(10)4-9/h2-5,11H,6-7H2,1H3,(H,15,18)
InChIKeyVUCHQXVPRQGHTM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.87
Rot. Bonds1

About 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one

7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one (PubChem CID 170351289) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one.

Molecular Properties

Compound Name7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one
PubChem CID170351289
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one
SMILESCC(=O)N1CC(c2ccc3cc(=O)[nH]nc3c2)C1
InChIInChI=1S/C13H13N3O2/c1-8(17)16-6-11(7-16)9-2-3-10-5-13(18)15-14-12(10)4-9/h2-5,11H,6-7H2,1H3,(H,15,18)
InChIKeyVUCHQXVPRQGHTM-UHFFFAOYSA-N
XLogP0.87
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one
CID 170351192
4-(1-acetylazetidin-3-yl)benzonitrile
CID 123882801
1-[3-[5-(chloromethyl)-1,2-oxazol-3-yl]azetidin-1-yl]ethanone
CID 130857119
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
CID 166143852
1-[3-(3-iodo-1-methylpyrazol-5-yl)azetidin-1-yl]ethanone
CID 118620132
1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone
CID 170351391
1-[(1R,5S)-7-(4-bromophenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
CID 71759460
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
CID 126758640
1-[4-(6-bromo-2H-indazol-3-yl)piperidin-1-yl]ethanone
CID 23048212
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
[3-[4-amino-6-(N-methylanilino)-1,3,5-triazin-2-yl]-1H-pyrazol-5-yl]-[3-(4-fluorophenyl)azetidin-1-yl]methanone
CID 141330201
1-[3-[5-bromo-3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]ethanone
CID 170549818

Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one?
The IUPAC name of 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one (CID 170351289) is 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one.
What is the SMILES notation for 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one?
The canonical SMILES for 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one is CC(=O)N1CC(c2ccc3cc(=O)[nH]nc3c2)C1.
What is the InChIKey of 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one?
The InChIKey is VUCHQXVPRQGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8(17)16-6-11(7-16)9-2-3-10-5-13(18)15-14-12(10)4-9/h2-5,11H,6-7H2,1H3,(H,15,18).
What are the key properties of 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one?
7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one has a molecular weight of 243.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylazetidin-3-yl)-2H-cinnolin-3-one is sourced from PubChem (CID 170351289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).