N-(azetidin-3-ylmethyl)acetamide

C6H12N2O — CID 15615455

IUPACN-(azetidin-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-4-6-2-7-3-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyUDRQOZIUKYBPNT-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.66
Rot. Bonds2

About N-(azetidin-3-ylmethyl)acetamide

N-(azetidin-3-ylmethyl)acetamide (PubChem CID 15615455) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)acetamide
PubChem CID15615455
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-(azetidin-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CNC1
InChIInChI=1S/C6H12N2O/c1-5(9)8-4-6-2-7-3-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKeyUDRQOZIUKYBPNT-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)acetamide?
The IUPAC name of N-(azetidin-3-ylmethyl)acetamide (CID 15615455) is N-(azetidin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)acetamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)acetamide is CC(=O)NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)acetamide?
The InChIKey is UDRQOZIUKYBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(9)8-4-6-2-7-3-6/h6-7H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(azetidin-3-ylmethyl)acetamide?
N-(azetidin-3-ylmethyl)acetamide has a molecular weight of 128.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)acetamide is sourced from PubChem (CID 15615455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).