1-(methylamino)propan-2-one;hydrochloride

C4H10ClNO — CID 56773723

IUPAC1-(methylamino)propan-2-one;hydrochloride
SMILESCNCC(C)=O.Cl
InChIInChI=1S/C4H9NO.ClH/c1-4(6)3-5-2;/h5H,3H2,1-2H3;1H
InChIKeyNLUDZQQYUFGUEC-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.22
Rot. Bonds2

About 1-(methylamino)propan-2-one;hydrochloride

1-(methylamino)propan-2-one;hydrochloride (PubChem CID 56773723) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 1-(methylamino)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(methylamino)propan-2-one;hydrochloride
PubChem CID56773723
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name1-(methylamino)propan-2-one;hydrochloride
SMILESCNCC(C)=O.Cl
InChIInChI=1S/C4H9NO.ClH/c1-4(6)3-5-2;/h5H,3H2,1-2H3;1H
InChIKeyNLUDZQQYUFGUEC-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-one;hydrochloride?
The IUPAC name of 1-(methylamino)propan-2-one;hydrochloride (CID 56773723) is 1-(methylamino)propan-2-one;hydrochloride.
What is the SMILES notation for 1-(methylamino)propan-2-one;hydrochloride?
The canonical SMILES for 1-(methylamino)propan-2-one;hydrochloride is CNCC(C)=O.Cl.
What is the InChIKey of 1-(methylamino)propan-2-one;hydrochloride?
The InChIKey is NLUDZQQYUFGUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-4(6)3-5-2;/h5H,3H2,1-2H3;1H.
What are the key properties of 1-(methylamino)propan-2-one;hydrochloride?
1-(methylamino)propan-2-one;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-one;hydrochloride is sourced from PubChem (CID 56773723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).