iodomethyl N-propan-2-ylcarbamate

C5H10INO2 — CID 86715162

IUPACiodomethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCI
InChIInChI=1S/C5H10INO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRUJDUAOKSPHOH-UHFFFAOYSA-N
MW243.04 g/mol
LogP1.51
Rot. Bonds2

About iodomethyl N-propan-2-ylcarbamate

iodomethyl N-propan-2-ylcarbamate (PubChem CID 86715162) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is iodomethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameiodomethyl N-propan-2-ylcarbamate
PubChem CID86715162
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Nameiodomethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCI
InChIInChI=1S/C5H10INO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyPRUJDUAOKSPHOH-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of iodomethyl N-propan-2-ylcarbamate?
The IUPAC name of iodomethyl N-propan-2-ylcarbamate (CID 86715162) is iodomethyl N-propan-2-ylcarbamate.
What is the SMILES notation for iodomethyl N-propan-2-ylcarbamate?
The canonical SMILES for iodomethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCI.
What is the InChIKey of iodomethyl N-propan-2-ylcarbamate?
The InChIKey is PRUJDUAOKSPHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-4(2)7-5(8)9-3-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of iodomethyl N-propan-2-ylcarbamate?
iodomethyl N-propan-2-ylcarbamate has a molecular weight of 243.04 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 86715162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).