(1-methylcyclopropyl) N-iodocarbamate

C5H8INO2 — CID 148842002

IUPAC(1-methylcyclopropyl) N-iodocarbamate
SMILESCC1(OC(=O)NI)CC1
InChIInChI=1S/C5H8INO2/c1-5(2-3-5)9-4(8)7-6/h2-3H2,1H3,(H,7,8)
InChIKeyOVSLKFZLKCLGBS-UHFFFAOYSA-N
MW241.03 g/mol
LogP1.62
Rot. Bonds1

About (1-methylcyclopropyl) N-iodocarbamate

(1-methylcyclopropyl) N-iodocarbamate (PubChem CID 148842002) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is (1-methylcyclopropyl) N-iodocarbamate.

Molecular Properties

Compound Name(1-methylcyclopropyl) N-iodocarbamate
PubChem CID148842002
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name(1-methylcyclopropyl) N-iodocarbamate
SMILESCC1(OC(=O)NI)CC1
InChIInChI=1S/C5H8INO2/c1-5(2-3-5)9-4(8)7-6/h2-3H2,1H3,(H,7,8)
InChIKeyOVSLKFZLKCLGBS-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(sulfinocarbamoyloxy)cyclopropane
CID 89156636
bis(1-methylcyclopropyl) carbonate
CID 88996166
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
chloro (1-methylcyclopropyl) carbonate
CID 140540913
methyl (1-methylcycloheptyl) carbonate
CID 172553116
ethyl (1-methylcyclopropyl) carbonate
CID 89090966
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclobutyl) acetate
CID 13396130
(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167481077
(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
CID 134434543
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
[4-(adamantane-1-carbonyloxy)-1,4-dimethylcyclohexyl] adamantane-1-carboxylate
CID 118563493

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) N-iodocarbamate?
The IUPAC name of (1-methylcyclopropyl) N-iodocarbamate (CID 148842002) is (1-methylcyclopropyl) N-iodocarbamate.
What is the SMILES notation for (1-methylcyclopropyl) N-iodocarbamate?
The canonical SMILES for (1-methylcyclopropyl) N-iodocarbamate is CC1(OC(=O)NI)CC1.
What is the InChIKey of (1-methylcyclopropyl) N-iodocarbamate?
The InChIKey is OVSLKFZLKCLGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c1-5(2-3-5)9-4(8)7-6/h2-3H2,1H3,(H,7,8).
What are the key properties of (1-methylcyclopropyl) N-iodocarbamate?
(1-methylcyclopropyl) N-iodocarbamate has a molecular weight of 241.03 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) N-iodocarbamate is sourced from PubChem (CID 148842002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).