1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one

C11H15NO2 — CID 116591276

IUPAC1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
SMILESNC1(CC(=O)Cc2ccco2)CCC1
InChIInChI=1S/C11H15NO2/c12-11(4-2-5-11)8-9(13)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-8,12H2
InChIKeyYCKDGBDSLORGCQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one

1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one (PubChem CID 116591276) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
PubChem CID116591276
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one
SMILESNC1(CC(=O)Cc2ccco2)CCC1
InChIInChI=1S/C11H15NO2/c12-11(4-2-5-11)8-9(13)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-8,12H2
InChIKeyYCKDGBDSLORGCQ-UHFFFAOYSA-N
XLogP1.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 64683581
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953
N-[2-(3-aminooxetan-3-yl)acetyl]-2-(furan-2-yl)acetamide
CID 112533483
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
2-(furan-2-yl)-1-(5-oxa-9-azaspiro[3.5]nonan-9-yl)ethanone
CID 136570966
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
1-[2-(furan-2-ylmethylamino)ethyl]cyclohexan-1-amine
CID 64679316
1-(1-aminocyclopentyl)-3-(5-ethylthiophen-2-yl)propan-2-one
CID 116578854
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one (CID 116591276) is 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one is NC1(CC(=O)Cc2ccco2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one?
The InChIKey is YCKDGBDSLORGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(4-2-5-11)8-9(13)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-8,12H2.
What are the key properties of 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one?
1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-3-(furan-2-yl)propan-2-one is sourced from PubChem (CID 116591276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).