4-aminobutan-2-one

C4H9NO — CID 15565026

IUPAC4-aminobutan-2-one
SMILESCC(=O)CCN
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2-3,5H2,1H3
InChIKeySUVYXKDAVYFUMG-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.08
Rot. Bonds2

About 4-aminobutan-2-one

4-aminobutan-2-one (PubChem CID 15565026) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 4-aminobutan-2-one.

Molecular Properties

Compound Name4-aminobutan-2-one
PubChem CID15565026
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name4-aminobutan-2-one
SMILESCC(=O)CCN
InChIInChI=1S/C4H9NO/c1-4(6)2-3-5/h2-3,5H2,1H3
InChIKeySUVYXKDAVYFUMG-UHFFFAOYSA-N
XLogP-0.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutan-2-one?
The IUPAC name of 4-aminobutan-2-one (CID 15565026) is 4-aminobutan-2-one.
What is the SMILES notation for 4-aminobutan-2-one?
The canonical SMILES for 4-aminobutan-2-one is CC(=O)CCN.
What is the InChIKey of 4-aminobutan-2-one?
The InChIKey is SUVYXKDAVYFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(6)2-3-5/h2-3,5H2,1H3.
What are the key properties of 4-aminobutan-2-one?
4-aminobutan-2-one has a molecular weight of 87.12 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutan-2-one is sourced from PubChem (CID 15565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).