2-amino-3-cyclopropyl-1-phenylpropan-1-one

C12H15NO — CID 82404437

IUPAC2-amino-3-cyclopropyl-1-phenylpropan-1-one
SMILESNC(CC1CC1)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c13-11(8-9-6-7-9)12(14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,13H2
InChIKeyYKDZYTLZLOUMDF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-3-cyclopropyl-1-phenylpropan-1-one

2-amino-3-cyclopropyl-1-phenylpropan-1-one (PubChem CID 82404437) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-amino-3-cyclopropyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-cyclopropyl-1-phenylpropan-1-one
PubChem CID82404437
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-amino-3-cyclopropyl-1-phenylpropan-1-one
SMILESNC(CC1CC1)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO/c13-11(8-9-6-7-9)12(14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,13H2
InChIKeyYKDZYTLZLOUMDF-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropyl-1-phenylpropan-1-one?
The IUPAC name of 2-amino-3-cyclopropyl-1-phenylpropan-1-one (CID 82404437) is 2-amino-3-cyclopropyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-amino-3-cyclopropyl-1-phenylpropan-1-one?
The canonical SMILES for 2-amino-3-cyclopropyl-1-phenylpropan-1-one is NC(CC1CC1)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-3-cyclopropyl-1-phenylpropan-1-one?
The InChIKey is YKDZYTLZLOUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-11(8-9-6-7-9)12(14)10-4-2-1-3-5-10/h1-5,9,11H,6-8,13H2.
What are the key properties of 2-amino-3-cyclopropyl-1-phenylpropan-1-one?
2-amino-3-cyclopropyl-1-phenylpropan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropyl-1-phenylpropan-1-one is sourced from PubChem (CID 82404437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).