benzyl N-(3-iodocyclobutyl)carbamate

C12H14INO2 — CID 177035256

IUPACbenzyl N-(3-iodocyclobutyl)carbamate
SMILESO=C(NC1CC(I)C1)OCc1ccccc1
InChIInChI=1S/C12H14INO2/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)
InChIKeyUMEZLFWXBWAHAZ-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.88
Rot. Bonds3

About benzyl N-(3-iodocyclobutyl)carbamate

benzyl N-(3-iodocyclobutyl)carbamate (PubChem CID 177035256) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is benzyl N-(3-iodocyclobutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-iodocyclobutyl)carbamate
PubChem CID177035256
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Namebenzyl N-(3-iodocyclobutyl)carbamate
SMILESO=C(NC1CC(I)C1)OCc1ccccc1
InChIInChI=1S/C12H14INO2/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)
InChIKeyUMEZLFWXBWAHAZ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
CID 156506450
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-iodocyclobutyl)carbamate?
The IUPAC name of benzyl N-(3-iodocyclobutyl)carbamate (CID 177035256) is benzyl N-(3-iodocyclobutyl)carbamate.
What is the SMILES notation for benzyl N-(3-iodocyclobutyl)carbamate?
The canonical SMILES for benzyl N-(3-iodocyclobutyl)carbamate is O=C(NC1CC(I)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-iodocyclobutyl)carbamate?
The InChIKey is UMEZLFWXBWAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15).
What are the key properties of benzyl N-(3-iodocyclobutyl)carbamate?
benzyl N-(3-iodocyclobutyl)carbamate has a molecular weight of 331.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-iodocyclobutyl)carbamate is sourced from PubChem (CID 177035256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).