2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide

C13H22N2O — CID 123591847

IUPAC2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide
SMILESCC1CC(CN2C3CCC3C2CC(N)=O)C1
InChIInChI=1S/C13H22N2O/c1-8-4-9(5-8)7-15-11-3-2-10(11)12(15)6-13(14)16/h8-12H,2-7H2,1H3,(H2,14,16)
InChIKeyDHLPARTUKLLKEX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.37
Rot. Bonds4

About 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide

2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide (PubChem CID 123591847) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide
PubChem CID123591847
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide
SMILESCC1CC(CN2C3CCC3C2CC(N)=O)C1
InChIInChI=1S/C13H22N2O/c1-8-4-9(5-8)7-15-11-3-2-10(11)12(15)6-13(14)16/h8-12H,2-7H2,1H3,(H2,14,16)
InChIKeyDHLPARTUKLLKEX-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide?
The IUPAC name of 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide (CID 123591847) is 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide.
What is the SMILES notation for 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide?
The canonical SMILES for 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide is CC1CC(CN2C3CCC3C2CC(N)=O)C1.
What is the InChIKey of 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide?
The InChIKey is DHLPARTUKLLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-4-9(5-8)7-15-11-3-2-10(11)12(15)6-13(14)16/h8-12H,2-7H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide?
2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylcyclobutyl)methyl]-2-azabicyclo[2.2.0]hexan-3-yl]acetamide is sourced from PubChem (CID 123591847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).