N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide

C9H15FN2O — CID 130661086

IUPACN-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CCC2)C1
InChIInChI=1S/C9H15FN2O/c1-9(10)5-12(6-9)8(13)11-7-3-2-4-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyQKHKZMCRRCWSOR-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.29
Rot. Bonds1

About N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide

N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 130661086) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID130661086
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CCC2)C1
InChIInChI=1S/C9H15FN2O/c1-9(10)5-12(6-9)8(13)11-7-3-2-4-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyQKHKZMCRRCWSOR-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide (CID 130661086) is N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide is CC1(F)CN(C(=O)NC2CCC2)C1.
What is the InChIKey of N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is QKHKZMCRRCWSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-9(10)5-12(6-9)8(13)11-7-3-2-4-7/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide?
N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 130661086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).