tert-butyl carbamate;iodomethylcyclobutane

C10H20INO2 — CID 174767644

IUPACtert-butyl carbamate;iodomethylcyclobutane
SMILESCC(C)(C)OC(N)=O.ICC1CCC1
InChIInChI=1S/C5H9I.C5H11NO2/c6-4-5-2-1-3-5;1-5(2,3)8-4(6)7/h5H,1-4H2;1-3H3,(H2,6,7)
InChIKeyAMSATTFLOHMEJE-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl carbamate;iodomethylcyclobutane

tert-butyl carbamate;iodomethylcyclobutane (PubChem CID 174767644) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is tert-butyl carbamate;iodomethylcyclobutane.

Molecular Properties

Compound Nametert-butyl carbamate;iodomethylcyclobutane
PubChem CID174767644
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Nametert-butyl carbamate;iodomethylcyclobutane
SMILESCC(C)(C)OC(N)=O.ICC1CCC1
InChIInChI=1S/C5H9I.C5H11NO2/c6-4-5-2-1-3-5;1-5(2,3)8-4(6)7/h5H,1-4H2;1-3H3,(H2,6,7)
InChIKeyAMSATTFLOHMEJE-UHFFFAOYSA-N
XLogP3.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.10
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

tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl carbamate;(4-propylcyclohexyl)methanol
CID 174436433
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
4-aminocyclohexane-1-carboxylic acid;tert-butyl carbamate
CID 142197822
tert-butyl 2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]acetate
CID 165062523
tert-butyl carbamate;cyclopropyne
CID 174661984

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;iodomethylcyclobutane?
The IUPAC name of tert-butyl carbamate;iodomethylcyclobutane (CID 174767644) is tert-butyl carbamate;iodomethylcyclobutane.
What is the SMILES notation for tert-butyl carbamate;iodomethylcyclobutane?
The canonical SMILES for tert-butyl carbamate;iodomethylcyclobutane is CC(C)(C)OC(N)=O.ICC1CCC1.
What is the InChIKey of tert-butyl carbamate;iodomethylcyclobutane?
The InChIKey is AMSATTFLOHMEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9I.C5H11NO2/c6-4-5-2-1-3-5;1-5(2,3)8-4(6)7/h5H,1-4H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;iodomethylcyclobutane?
tert-butyl carbamate;iodomethylcyclobutane has a molecular weight of 313.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;iodomethylcyclobutane is sourced from PubChem (CID 174767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).