1-[3-(aminomethyl)oxetan-3-yl]ethanone

C6H11NO2 — CID 116922670

IUPAC1-[3-(aminomethyl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(CN)COC1
InChIInChI=1S/C6H11NO2/c1-5(8)6(2-7)3-9-4-6/h2-4,7H2,1H3
InChIKeyPJBSPVCXHQQLHD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.45
Rot. Bonds2

About 1-[3-(aminomethyl)oxetan-3-yl]ethanone

1-[3-(aminomethyl)oxetan-3-yl]ethanone (PubChem CID 116922670) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]ethanone
PubChem CID116922670
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]ethanone
SMILESCC(=O)C1(CN)COC1
InChIInChI=1S/C6H11NO2/c1-5(8)6(2-7)3-9-4-6/h2-4,7H2,1H3
InChIKeyPJBSPVCXHQQLHD-UHFFFAOYSA-N
XLogP-0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]ethanone;hydrochloride
CID 86775853
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 175513547
1-[4-(aminomethyl)-1-methylpiperidin-4-yl]ethanone
CID 178047336
methyl 6-(aminomethyl)-2-oxaspiro[3.3]heptane-6-carboxylate
CID 167724073
3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185551
[3-(aminomethyl)oxetan-3-yl]-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116922745
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
[3-(aminomethyl)oxetan-3-yl]-naphthalen-2-ylmethanone
CID 116922801
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
[3-(aminomethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922800
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
acetic acid;chromium;ethane-1,2-diamine
CID 157437445

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]ethanone?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]ethanone (CID 116922670) is 1-[3-(aminomethyl)oxetan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]ethanone?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]ethanone is CC(=O)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]ethanone?
The InChIKey is PJBSPVCXHQQLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)6(2-7)3-9-4-6/h2-4,7H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]ethanone?
1-[3-(aminomethyl)oxetan-3-yl]ethanone has a molecular weight of 129.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]ethanone is sourced from PubChem (CID 116922670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).