3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide

C9H15FN2O — CID 127013154

IUPAC3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide
SMILESCC1(CNC(=O)N2CC(F)C2)CC1
InChIInChI=1S/C9H15FN2O/c1-9(2-3-9)6-11-8(13)12-4-7(10)5-12/h7H,2-6H2,1H3,(H,11,13)
InChIKeyPUWWWKAFHTZQHS-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.15
Rot. Bonds2

About 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide

3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide (PubChem CID 127013154) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide
PubChem CID127013154
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide
SMILESCC1(CNC(=O)N2CC(F)C2)CC1
InChIInChI=1S/C9H15FN2O/c1-9(2-3-9)6-11-8(13)12-4-7(10)5-12/h7H,2-6H2,1H3,(H,11,13)
InChIKeyPUWWWKAFHTZQHS-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide (CID 127013154) is 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide is CC1(CNC(=O)N2CC(F)C2)CC1.
What is the InChIKey of 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide?
The InChIKey is PUWWWKAFHTZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-9(2-3-9)6-11-8(13)12-4-7(10)5-12/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide?
3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylcyclopropyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 127013154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).