1-(3-amino-1-methylcyclobutyl)ethanone

C7H13NO — CID 118544999

IUPAC1-(3-amino-1-methylcyclobutyl)ethanone
SMILESCC(=O)C1(C)CC(N)C1
InChIInChI=1S/C7H13NO/c1-5(9)7(2)3-6(8)4-7/h6H,3-4,8H2,1-2H3
InChIKeyFOLOHWZUAHXAGD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds1

About 1-(3-amino-1-methylcyclobutyl)ethanone

1-(3-amino-1-methylcyclobutyl)ethanone (PubChem CID 118544999) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3-amino-1-methylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-1-methylcyclobutyl)ethanone
PubChem CID118544999
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3-amino-1-methylcyclobutyl)ethanone
SMILESCC(=O)C1(C)CC(N)C1
InChIInChI=1S/C7H13NO/c1-5(9)7(2)3-6(8)4-7/h6H,3-4,8H2,1-2H3
InChIKeyFOLOHWZUAHXAGD-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-(3-amino-1-methylcyclobutyl)ethanone?
The IUPAC name of 1-(3-amino-1-methylcyclobutyl)ethanone (CID 118544999) is 1-(3-amino-1-methylcyclobutyl)ethanone.
What is the SMILES notation for 1-(3-amino-1-methylcyclobutyl)ethanone?
The canonical SMILES for 1-(3-amino-1-methylcyclobutyl)ethanone is CC(=O)C1(C)CC(N)C1.
What is the InChIKey of 1-(3-amino-1-methylcyclobutyl)ethanone?
The InChIKey is FOLOHWZUAHXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(9)7(2)3-6(8)4-7/h6H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-amino-1-methylcyclobutyl)ethanone?
1-(3-amino-1-methylcyclobutyl)ethanone has a molecular weight of 127.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-methylcyclobutyl)ethanone is sourced from PubChem (CID 118544999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).