1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea

C7H13IN2O — CID 138652029

IUPAC1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
SMILESCNC(=O)N[C@H]1CCC[C@@H]1I
InChIInChI=1S/C7H13IN2O/c1-9-7(11)10-6-4-2-3-5(6)8/h5-6H,2-4H2,1H3,(H2,9,10,11)/t5-,6-/m0/s1
InChIKeyPYIAGNMNOXZDLI-WDSKDSINSA-N
MW268.10 g/mol
LogP1.27
Rot. Bonds1

About 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea

1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea (PubChem CID 138652029) has the molecular formula C7H13IN2O and a molecular weight of 268.10 g/mol. Its IUPAC name is 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
PubChem CID138652029
Molecular FormulaC7H13IN2O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Name1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea
SMILESCNC(=O)N[C@H]1CCC[C@@H]1I
InChIInChI=1S/C7H13IN2O/c1-9-7(11)10-6-4-2-3-5(6)8/h5-6H,2-4H2,1H3,(H2,9,10,11)/t5-,6-/m0/s1
InChIKeyPYIAGNMNOXZDLI-WDSKDSINSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 51.27
H-Bond Donors ≤ 52
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-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
CID 71020449
N-[(1S,2S)-2-iodocyclopentyl]acetamide
CID 138652376
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490
1-[(1R,2R)-2-iodocyclohexyl]-3-[2-(4-methylphenyl)-2-oxoethyl]urea
CID 14875003
2-(2-iodocyclopentyl)-N-methylacetamide
CID 147349767
N-[(1R,2R)-2-iodocyclohexyl]propanethioamide
CID 134892002
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
1-[(1S,2R)-4-amino-2-hydroxycyclopentyl]-3-methylurea
CID 144606750
1-[3-(aminomethyl)cyclohexyl]-3-methylurea
CID 130538288
1-ethyl-3-[[2-(methylcarbamoylamino)cyclopropyl]methyl]urea
CID 138569359
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea?
The IUPAC name of 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea (CID 138652029) is 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea.
What is the SMILES notation for 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea?
The canonical SMILES for 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea is CNC(=O)N[C@H]1CCC[C@@H]1I.
What is the InChIKey of 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea?
The InChIKey is PYIAGNMNOXZDLI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13IN2O/c1-9-7(11)10-6-4-2-3-5(6)8/h5-6H,2-4H2,1H3,(H2,9,10,11)/t5-,6-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea?
1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea has a molecular weight of 268.10 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-iodocyclopentyl]-3-methylurea is sourced from PubChem (CID 138652029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).