2-(aminomethyl)-2-methylcyclobutan-1-one

C6H11NO — CID 68948709

IUPAC2-(aminomethyl)-2-methylcyclobutan-1-one
SMILESCC1(CN)CCC1=O
InChIInChI=1S/C6H11NO/c1-6(4-7)3-2-5(6)8/h2-4,7H2,1H3
InChIKeyIAYVQUBHHDARJQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.31
Rot. Bonds1

About 2-(aminomethyl)-2-methylcyclobutan-1-one

2-(aminomethyl)-2-methylcyclobutan-1-one (PubChem CID 68948709) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylcyclobutan-1-one
PubChem CID68948709
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-(aminomethyl)-2-methylcyclobutan-1-one
SMILESCC1(CN)CCC1=O
InChIInChI=1S/C6H11NO/c1-6(4-7)3-2-5(6)8/h2-4,7H2,1H3
InChIKeyIAYVQUBHHDARJQ-UHFFFAOYSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylcyclobutan-1-one?
The IUPAC name of 2-(aminomethyl)-2-methylcyclobutan-1-one (CID 68948709) is 2-(aminomethyl)-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-methylcyclobutan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-methylcyclobutan-1-one is CC1(CN)CCC1=O.
What is the InChIKey of 2-(aminomethyl)-2-methylcyclobutan-1-one?
The InChIKey is IAYVQUBHHDARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(4-7)3-2-5(6)8/h2-4,7H2,1H3.
What are the key properties of 2-(aminomethyl)-2-methylcyclobutan-1-one?
2-(aminomethyl)-2-methylcyclobutan-1-one has a molecular weight of 113.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylcyclobutan-1-one is sourced from PubChem (CID 68948709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).