2-amino-2-cyclobutyl-1-phenylethanone

C12H15NO — CID 54531092

IUPAC2-amino-2-cyclobutyl-1-phenylethanone
SMILESNC(C(=O)c1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c13-11(9-7-4-8-9)12(14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2
InChIKeyMEBKXXGNZWFEFS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-2-cyclobutyl-1-phenylethanone

2-amino-2-cyclobutyl-1-phenylethanone (PubChem CID 54531092) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-amino-2-cyclobutyl-1-phenylethanone.

Molecular Properties

Compound Name2-amino-2-cyclobutyl-1-phenylethanone
PubChem CID54531092
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-amino-2-cyclobutyl-1-phenylethanone
SMILESNC(C(=O)c1ccccc1)C1CCC1
InChIInChI=1S/C12H15NO/c13-11(9-7-4-8-9)12(14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2
InChIKeyMEBKXXGNZWFEFS-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174799211
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
2-bromo-3-cyclopentyl-1-phenylpropan-1-one
CID 11808108
(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
CID 10353801
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
CID 165038492
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclobutyl-1-phenylethanone?
The IUPAC name of 2-amino-2-cyclobutyl-1-phenylethanone (CID 54531092) is 2-amino-2-cyclobutyl-1-phenylethanone.
What is the SMILES notation for 2-amino-2-cyclobutyl-1-phenylethanone?
The canonical SMILES for 2-amino-2-cyclobutyl-1-phenylethanone is NC(C(=O)c1ccccc1)C1CCC1.
What is the InChIKey of 2-amino-2-cyclobutyl-1-phenylethanone?
The InChIKey is MEBKXXGNZWFEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-11(9-7-4-8-9)12(14)10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2.
What are the key properties of 2-amino-2-cyclobutyl-1-phenylethanone?
2-amino-2-cyclobutyl-1-phenylethanone has a molecular weight of 189.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclobutyl-1-phenylethanone is sourced from PubChem (CID 54531092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).