1-(azetidin-1-yl)-2-(methylamino)propan-1-one

C7H14N2O — CID 130546947

IUPAC1-(azetidin-1-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCC1
InChIInChI=1S/C7H14N2O/c1-6(8-2)7(10)9-4-3-5-9/h6,8H,3-5H2,1-2H3
InChIKeyWNLFNPZXJYUEGZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(methylamino)propan-1-one

1-(azetidin-1-yl)-2-(methylamino)propan-1-one (PubChem CID 130546947) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(methylamino)propan-1-one
PubChem CID130546947
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(azetidin-1-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCC1
InChIInChI=1S/C7H14N2O/c1-6(8-2)7(10)9-4-3-5-9/h6,8H,3-5H2,1-2H3
InChIKeyWNLFNPZXJYUEGZ-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 127006772
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 62637512
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-2-(methylamino)propan-1-one (CID 130546947) is 1-(azetidin-1-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(methylamino)propan-1-one?
The InChIKey is WNLFNPZXJYUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(8-2)7(10)9-4-3-5-9/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(azetidin-1-yl)-2-(methylamino)propan-1-one?
1-(azetidin-1-yl)-2-(methylamino)propan-1-one has a molecular weight of 142.20 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 130546947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).