4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one

C11H15NO2 — CID 116608872

IUPAC4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one
SMILESNC(CC(=O)Cc1ccoc1)C1CC1
InChIInChI=1S/C11H15NO2/c12-11(9-1-2-9)6-10(13)5-8-3-4-14-7-8/h3-4,7,9,11H,1-2,5-6,12H2
InChIKeyDKZUOGPSGJYQCJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.52
Rot. Bonds5

About 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one

4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one (PubChem CID 116608872) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one
PubChem CID116608872
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one
SMILESNC(CC(=O)Cc1ccoc1)C1CC1
InChIInChI=1S/C11H15NO2/c12-11(9-1-2-9)6-10(13)5-8-3-4-14-7-8/h3-4,7,9,11H,1-2,5-6,12H2
InChIKeyDKZUOGPSGJYQCJ-UHFFFAOYSA-N
XLogP1.52
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
3-cyclopropyl-1-(furan-3-yl)butan-2-one
CID 115795878
1-cyclobutyl-3-(furan-3-yl)propan-2-one
CID 103168049
1-cyclohexyl-3-(furan-3-yl)propan-2-one
CID 115795908
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
CID 116608847
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
4-amino-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116608862
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one?
The IUPAC name of 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one (CID 116608872) is 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one.
What is the SMILES notation for 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one?
The canonical SMILES for 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one is NC(CC(=O)Cc1ccoc1)C1CC1.
What is the InChIKey of 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one?
The InChIKey is DKZUOGPSGJYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-11(9-1-2-9)6-10(13)5-8-3-4-14-7-8/h3-4,7,9,11H,1-2,5-6,12H2.
What are the key properties of 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one?
4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-cyclopropyl-1-(furan-3-yl)butan-2-one is sourced from PubChem (CID 116608872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).