1-[1-(aminomethyl)cyclobutyl]ethanone

C7H13NO — CID 116600202

IUPAC1-[1-(aminomethyl)cyclobutyl]ethanone
SMILESCC(=O)C1(CN)CCC1
InChIInChI=1S/C7H13NO/c1-6(9)7(5-8)3-2-4-7/h2-5,8H2,1H3
InChIKeyRKIDIWWJIGVLCN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds2

About 1-[1-(aminomethyl)cyclobutyl]ethanone

1-[1-(aminomethyl)cyclobutyl]ethanone (PubChem CID 116600202) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]ethanone
PubChem CID116600202
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[1-(aminomethyl)cyclobutyl]ethanone
SMILESCC(=O)C1(CN)CCC1
InChIInChI=1S/C7H13NO/c1-6(9)7(5-8)3-2-4-7/h2-5,8H2,1H3
InChIKeyRKIDIWWJIGVLCN-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]ethanone (CID 116600202) is 1-[1-(aminomethyl)cyclobutyl]ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]ethanone is CC(=O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]ethanone?
The InChIKey is RKIDIWWJIGVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7(5-8)3-2-4-7/h2-5,8H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]ethanone?
1-[1-(aminomethyl)cyclobutyl]ethanone has a molecular weight of 127.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]ethanone is sourced from PubChem (CID 116600202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).