1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone

C9H15NO — CID 58849817

IUPAC1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone
SMILESCC(=O)C1CCC2CC2N1C
InChIInChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3
InChIKeyKMPGYHPVYZHIRY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds1

About 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone

1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone (PubChem CID 58849817) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone
PubChem CID58849817
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone
SMILESCC(=O)C1CCC2CC2N1C
InChIInChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3
InChIKeyKMPGYHPVYZHIRY-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone (CID 58849817) is 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone is CC(=O)C1CCC2CC2N1C.
What is the InChIKey of 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone?
The InChIKey is KMPGYHPVYZHIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(11)8-4-3-7-5-9(7)10(8)2/h7-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone?
1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-azabicyclo[4.1.0]heptan-3-yl)ethanone is sourced from PubChem (CID 58849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).