2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide

C9H16N2O — CID 173103033

IUPAC2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide
SMILESCNC(=O)CC12CCCN1CC2
InChIInChI=1S/C9H16N2O/c1-10-8(12)7-9-3-2-5-11(9)6-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyWHLQNKCDNLCFCE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds2

About 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide

2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide (PubChem CID 173103033) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide
PubChem CID173103033
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide
SMILESCNC(=O)CC12CCCN1CC2
InChIInChI=1S/C9H16N2O/c1-10-8(12)7-9-3-2-5-11(9)6-4-9/h2-7H2,1H3,(H,10,12)
InChIKeyWHLQNKCDNLCFCE-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-pyrrolidin-1-ylcyclohexyl)acetamide
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2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
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1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide?
The IUPAC name of 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide (CID 173103033) is 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide is CNC(=O)CC12CCCN1CC2.
What is the InChIKey of 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide?
The InChIKey is WHLQNKCDNLCFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-10-8(12)7-9-3-2-5-11(9)6-4-9/h2-7H2,1H3,(H,10,12).
What are the key properties of 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide?
2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide has a molecular weight of 168.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.2.0]heptan-5-yl)-N-methylacetamide is sourced from PubChem (CID 173103033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).