methyl(2-oxopropyl)azanium

C4H10NO+ — CID 51899419

IUPACmethyl(2-oxopropyl)azanium
SMILESC[NH2+]CC(C)=O
InChIInChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3/p+1
InChIKeyUNCPWMREXAOVOD-UHFFFAOYSA-O
MW88.13 g/mol
LogP-1.23
Rot. Bonds2

About methyl(2-oxopropyl)azanium

methyl(2-oxopropyl)azanium (PubChem CID 51899419) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is methyl(2-oxopropyl)azanium.

Molecular Properties

Compound Namemethyl(2-oxopropyl)azanium
PubChem CID51899419
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Namemethyl(2-oxopropyl)azanium
SMILESC[NH2+]CC(C)=O
InChIInChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3/p+1
InChIKeyUNCPWMREXAOVOD-UHFFFAOYSA-O
XLogP-1.23
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl(2-oxopropyl)azanium?
The IUPAC name of methyl(2-oxopropyl)azanium (CID 51899419) is methyl(2-oxopropyl)azanium.
What is the SMILES notation for methyl(2-oxopropyl)azanium?
The canonical SMILES for methyl(2-oxopropyl)azanium is C[NH2+]CC(C)=O.
What is the InChIKey of methyl(2-oxopropyl)azanium?
The InChIKey is UNCPWMREXAOVOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3/p+1.
What are the key properties of methyl(2-oxopropyl)azanium?
methyl(2-oxopropyl)azanium has a molecular weight of 88.13 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-oxopropyl)azanium is sourced from PubChem (CID 51899419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).