1-(2-oxopropylamino)propan-2-one

C6H11NO2 — CID 19940200

IUPAC1-(2-oxopropylamino)propan-2-one
SMILESCC(=O)CNCC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7H,3-4H2,1-2H3
InChIKeyKECXIBBXMHHSAL-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.25
Rot. Bonds4

About 1-(2-oxopropylamino)propan-2-one

1-(2-oxopropylamino)propan-2-one (PubChem CID 19940200) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(2-oxopropylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-oxopropylamino)propan-2-one
PubChem CID19940200
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-(2-oxopropylamino)propan-2-one
SMILESCC(=O)CNCC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7H,3-4H2,1-2H3
InChIKeyKECXIBBXMHHSAL-UHFFFAOYSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropylamino)propan-2-one?
The IUPAC name of 1-(2-oxopropylamino)propan-2-one (CID 19940200) is 1-(2-oxopropylamino)propan-2-one.
What is the SMILES notation for 1-(2-oxopropylamino)propan-2-one?
The canonical SMILES for 1-(2-oxopropylamino)propan-2-one is CC(=O)CNCC(C)=O.
What is the InChIKey of 1-(2-oxopropylamino)propan-2-one?
The InChIKey is KECXIBBXMHHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7H,3-4H2,1-2H3.
What are the key properties of 1-(2-oxopropylamino)propan-2-one?
1-(2-oxopropylamino)propan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropylamino)propan-2-one is sourced from PubChem (CID 19940200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).