N-(3-iodocyclobutyl)acetamide

C6H10INO — CID 145126673

IUPACN-(3-iodocyclobutyl)acetamide
SMILESCC(=O)NC1CC(I)C1
InChIInChI=1S/C6H10INO/c1-4(9)8-6-2-5(7)3-6/h5-6H,2-3H2,1H3,(H,8,9)
InChIKeyZDQDESBFSJPPIU-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.09
Rot. Bonds1

About N-(3-iodocyclobutyl)acetamide

N-(3-iodocyclobutyl)acetamide (PubChem CID 145126673) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is N-(3-iodocyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-iodocyclobutyl)acetamide
PubChem CID145126673
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC NameN-(3-iodocyclobutyl)acetamide
SMILESCC(=O)NC1CC(I)C1
InChIInChI=1S/C6H10INO/c1-4(9)8-6-2-5(7)3-6/h5-6H,2-3H2,1H3,(H,8,9)
InChIKeyZDQDESBFSJPPIU-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
N-[(2S,6R)-2,6-dimethylpiperidin-4-yl]acetamide
CID 59032904
N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
N-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
2-(3-acetamidocyclobutyl)acetic acid
CID 154928575
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
CID 90327918
N-(1-methanidylazetidin-3-yl)acetamide
CID 59822088
N-[(5R)-6-methyl-3-bicyclo[3.2.0]heptanyl]acetamide
CID 166848885
N-[3-(buta-1,3-dien-2-ylamino)cyclobutyl]acetamide
CID 157408507
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028

Frequently Asked Questions

What is the IUPAC name of N-(3-iodocyclobutyl)acetamide?
The IUPAC name of N-(3-iodocyclobutyl)acetamide (CID 145126673) is N-(3-iodocyclobutyl)acetamide.
What is the SMILES notation for N-(3-iodocyclobutyl)acetamide?
The canonical SMILES for N-(3-iodocyclobutyl)acetamide is CC(=O)NC1CC(I)C1.
What is the InChIKey of N-(3-iodocyclobutyl)acetamide?
The InChIKey is ZDQDESBFSJPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-4(9)8-6-2-5(7)3-6/h5-6H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(3-iodocyclobutyl)acetamide?
N-(3-iodocyclobutyl)acetamide has a molecular weight of 239.06 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodocyclobutyl)acetamide is sourced from PubChem (CID 145126673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).