(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide

C7H10INO — CID 170258058

IUPAC(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
SMILESCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)I
InChIInChI=1S/C7H10INO/c1-9-3-4-2-5(4)6(9)7(8)10/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyXUWNQKBXQZANBZ-ZLUOBGJFSA-N
MW251.07 g/mol
LogP0.90
Rot. Bonds1

About (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide

(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide (PubChem CID 170258058) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide.

Molecular Properties

Compound Name(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
PubChem CID170258058
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
SMILESCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)I
InChIInChI=1S/C7H10INO/c1-9-3-4-2-5(4)6(9)7(8)10/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1
InChIKeyXUWNQKBXQZANBZ-ZLUOBGJFSA-N
XLogP0.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 58849895
1-[(1R,2S,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 89828677
Ethane;methane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 144161861
Ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 145136339
1-(3-Propan-2-yl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 166170329
Ethane;1-(3-methyl-3-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 168239757
1-[(1S,2S,5R,6S)-3,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 169994487
1-[(1R,2S,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 170366323
1-[(1S,2S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 170366324
(3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptane-3-carbonyl iodide
CID 173913462
1-[(1S,5R)-3,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 143354040
3-Methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 156736339

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide?
The IUPAC name of (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide (CID 170258058) is (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide.
What is the SMILES notation for (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide?
The canonical SMILES for (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide is CN1C[C@@H]2C[C@@H]2[C@H]1C(=O)I.
What is the InChIKey of (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide?
The InChIKey is XUWNQKBXQZANBZ-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H10INO/c1-9-3-4-2-5(4)6(9)7(8)10/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide?
(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide has a molecular weight of 251.07 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide is sourced from PubChem (CID 170258058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).