1-[3-(methylamino)cyclobutyl]propan-1-one

C8H15NO — CID 165469771

IUPAC1-[3-(methylamino)cyclobutyl]propan-1-one
SMILESCCC(=O)C1CC(NC)C1
InChIInChI=1S/C8H15NO/c1-3-8(10)6-4-7(5-6)9-2/h6-7,9H,3-5H2,1-2H3
InChIKeyZGUGUYBZALALJI-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds3

About 1-[3-(methylamino)cyclobutyl]propan-1-one

1-[3-(methylamino)cyclobutyl]propan-1-one (PubChem CID 165469771) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[3-(methylamino)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)cyclobutyl]propan-1-one
PubChem CID165469771
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[3-(methylamino)cyclobutyl]propan-1-one
SMILESCCC(=O)C1CC(NC)C1
InChIInChI=1S/C8H15NO/c1-3-8(10)6-4-7(5-6)9-2/h6-7,9H,3-5H2,1-2H3
InChIKeyZGUGUYBZALALJI-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633
1-(3-butylcyclobutyl)propan-1-one
CID 118975148
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
4-propanoylcyclohexane-1-carboxamide
CID 118218321
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
1-(1,3-dithian-5-yl)propan-1-one
CID 58364445
1-[(1S,5R)-5-aminocyclohex-3-en-1-yl]propan-1-one
CID 178190866
1-(5-aminocyclohex-3-en-1-yl)propan-1-one
CID 165465041
4-(methylamino)-7-propanoyldithiocan-5-one
CID 170191832

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)cyclobutyl]propan-1-one?
The IUPAC name of 1-[3-(methylamino)cyclobutyl]propan-1-one (CID 165469771) is 1-[3-(methylamino)cyclobutyl]propan-1-one.
What is the SMILES notation for 1-[3-(methylamino)cyclobutyl]propan-1-one?
The canonical SMILES for 1-[3-(methylamino)cyclobutyl]propan-1-one is CCC(=O)C1CC(NC)C1.
What is the InChIKey of 1-[3-(methylamino)cyclobutyl]propan-1-one?
The InChIKey is ZGUGUYBZALALJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(10)6-4-7(5-6)9-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-[3-(methylamino)cyclobutyl]propan-1-one?
1-[3-(methylamino)cyclobutyl]propan-1-one has a molecular weight of 141.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)cyclobutyl]propan-1-one is sourced from PubChem (CID 165469771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).