1-(3-aminocyclobutyl)butan-1-one

C8H15NO — CID 116917645

IUPAC1-(3-aminocyclobutyl)butan-1-one
SMILESCCCC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)6-4-7(9)5-6/h6-7H,2-5,9H2,1H3
InChIKeyCNYNGSAADRHAPU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-aminocyclobutyl)butan-1-one

1-(3-aminocyclobutyl)butan-1-one (PubChem CID 116917645) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)butan-1-one
PubChem CID116917645
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3-aminocyclobutyl)butan-1-one
SMILESCCCC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO/c1-2-3-8(10)6-4-7(9)5-6/h6-7H,2-5,9H2,1H3
InChIKeyCNYNGSAADRHAPU-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclopentyl)butan-1-one
CID 116587099
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
1-(3-aminocyclobutyl)-2-ethoxyethanone
CID 165469777
1-cycloheptylbutan-1-one
CID 54353743
1-(4-hydroxycyclohexyl)butan-1-one
CID 116920125
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
3-amino-N,N-diethylcyclobutane-1-carboxamide;hydrochloride
CID 165429599
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-one
CID 114969082
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
CID 122666743
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-(2-ethyloxan-4-yl)butan-1-one
CID 83047852

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)butan-1-one?
The IUPAC name of 1-(3-aminocyclobutyl)butan-1-one (CID 116917645) is 1-(3-aminocyclobutyl)butan-1-one.
What is the SMILES notation for 1-(3-aminocyclobutyl)butan-1-one?
The canonical SMILES for 1-(3-aminocyclobutyl)butan-1-one is CCCC(=O)C1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)butan-1-one?
The InChIKey is CNYNGSAADRHAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-8(10)6-4-7(9)5-6/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(3-aminocyclobutyl)butan-1-one?
1-(3-aminocyclobutyl)butan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)butan-1-one is sourced from PubChem (CID 116917645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).