1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone

C10H15NO — CID 92846372

IUPAC1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
SMILESCC(=O)C1=C(N)C[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C10H15NO/c1-5(12)8-7(11)4-6-9(8)10(6,2)3/h6,9H,4,11H2,1-3H3/t6-,9-/m0/s1
InChIKeyATRIWDXNPRKJRB-RCOVLWMOSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds1

About 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone

1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone (PubChem CID 92846372) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
PubChem CID92846372
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
SMILESCC(=O)C1=C(N)C[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C10H15NO/c1-5(12)8-7(11)4-6-9(8)10(6,2)3/h6,9H,4,11H2,1-3H3/t6-,9-/m0/s1
InChIKeyATRIWDXNPRKJRB-RCOVLWMOSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone?
The IUPAC name of 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone (CID 92846372) is 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone?
The canonical SMILES for 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone is CC(=O)C1=C(N)C[C@H]2[C@@H]1C2(C)C.
What is the InChIKey of 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone?
The InChIKey is ATRIWDXNPRKJRB-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H15NO/c1-5(12)8-7(11)4-6-9(8)10(6,2)3/h6,9H,4,11H2,1-3H3/t6-,9-/m0/s1.
What are the key properties of 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone?
1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone is sourced from PubChem (CID 92846372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).