2-aminopentan-3-one

C5H11NO — CID 10986165

IUPAC2-aminopentan-3-one
SMILESCCC(=O)C(C)N
InChIInChI=1S/C5H11NO/c1-3-5(7)4(2)6/h4H,3,6H2,1-2H3
InChIKeyQFQPULHETHXBCL-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.31
Rot. Bonds2

About 2-aminopentan-3-one

2-aminopentan-3-one (PubChem CID 10986165) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-aminopentan-3-one.

Molecular Properties

Compound Name2-aminopentan-3-one
PubChem CID10986165
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-aminopentan-3-one
SMILESCCC(=O)C(C)N
InChIInChI=1S/C5H11NO/c1-3-5(7)4(2)6/h4H,3,6H2,1-2H3
InChIKeyQFQPULHETHXBCL-UHFFFAOYSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminopentan-3-one?
The IUPAC name of 2-aminopentan-3-one (CID 10986165) is 2-aminopentan-3-one.
What is the SMILES notation for 2-aminopentan-3-one?
The canonical SMILES for 2-aminopentan-3-one is CCC(=O)C(C)N.
What is the InChIKey of 2-aminopentan-3-one?
The InChIKey is QFQPULHETHXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(7)4(2)6/h4H,3,6H2,1-2H3.
What are the key properties of 2-aminopentan-3-one?
2-aminopentan-3-one has a molecular weight of 101.15 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentan-3-one is sourced from PubChem (CID 10986165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).