N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C7H12N2O — CID 11789290

IUPACN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H12N2O/c1-4(10)9-7-5-2-8-3-6(5)7/h5-8H,2-3H2,1H3,(H,9,10)/t5-,6+,7?
InChIKeyCUDZUFGSVINTQQ-MEKDEQNOSA-N
MW140.19 g/mol
LogP-0.66
Rot. Bonds1

About N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 11789290) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID11789290
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C7H12N2O/c1-4(10)9-7-5-2-8-3-6(5)7/h5-8H,2-3H2,1H3,(H,9,10)/t5-,6+,7?
InChIKeyCUDZUFGSVINTQQ-MEKDEQNOSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
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-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 11789290) is N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is CC(=O)NC1[C@H]2CNC[C@@H]12.
What is the InChIKey of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is CUDZUFGSVINTQQ-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(10)9-7-5-2-8-3-6(5)7/h5-8H,2-3H2,1H3,(H,9,10)/t5-,6+,7?.
What are the key properties of N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 140.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 11789290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).