N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide

C8H16N2O — CID 167168227

IUPACN-[(1,3-dimethylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)CN(C)C1
InChIInChI=1S/C8H16N2O/c1-7(11)9-4-8(2)5-10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyRTMRTLIEHPZKKV-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds2

About N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide

N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide (PubChem CID 167168227) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylazetidin-3-yl)methyl]acetamide
PubChem CID167168227
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(1,3-dimethylazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)CN(C)C1
InChIInChI=1S/C8H16N2O/c1-7(11)9-4-8(2)5-10(3)6-8/h4-6H2,1-3H3,(H,9,11)
InChIKeyRTMRTLIEHPZKKV-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide (CID 167168227) is N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide is CC(=O)NCC1(C)CN(C)C1.
What is the InChIKey of N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide?
The InChIKey is RTMRTLIEHPZKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11)9-4-8(2)5-10(3)6-8/h4-6H2,1-3H3,(H,9,11).
What are the key properties of N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide?
N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide has a molecular weight of 156.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 167168227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).