N-[(1S,2S)-2-iodocyclopentyl]acetamide

C7H12INO — CID 138652376

IUPACN-[(1S,2S)-2-iodocyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CCC[C@@H]1I
InChIInChI=1S/C7H12INO/c1-5(10)9-7-4-2-3-6(7)8/h6-7H,2-4H2,1H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyZDYDCQBJNKBFBB-BQBZGAKWSA-N
MW253.08 g/mol
LogP1.48
Rot. Bonds1

About N-[(1S,2S)-2-iodocyclopentyl]acetamide

N-[(1S,2S)-2-iodocyclopentyl]acetamide (PubChem CID 138652376) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is N-[(1S,2S)-2-iodocyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-iodocyclopentyl]acetamide
PubChem CID138652376
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC NameN-[(1S,2S)-2-iodocyclopentyl]acetamide
SMILESCC(=O)N[C@H]1CCC[C@@H]1I
InChIInChI=1S/C7H12INO/c1-5(10)9-7-4-2-3-6(7)8/h6-7H,2-4H2,1H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyZDYDCQBJNKBFBB-BQBZGAKWSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.48
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

1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
CID 138652029
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
CID 10981236
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-iodocyclopentyl]acetamide?
The IUPAC name of N-[(1S,2S)-2-iodocyclopentyl]acetamide (CID 138652376) is N-[(1S,2S)-2-iodocyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,2S)-2-iodocyclopentyl]acetamide?
The canonical SMILES for N-[(1S,2S)-2-iodocyclopentyl]acetamide is CC(=O)N[C@H]1CCC[C@@H]1I.
What is the InChIKey of N-[(1S,2S)-2-iodocyclopentyl]acetamide?
The InChIKey is ZDYDCQBJNKBFBB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12INO/c1-5(10)9-7-4-2-3-6(7)8/h6-7H,2-4H2,1H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of N-[(1S,2S)-2-iodocyclopentyl]acetamide?
N-[(1S,2S)-2-iodocyclopentyl]acetamide has a molecular weight of 253.08 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-iodocyclopentyl]acetamide is sourced from PubChem (CID 138652376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).