methyl N-[(2-methyloxiran-2-yl)methyl]carbamate

C6H11NO3 — CID 73120735

IUPACmethyl N-[(2-methyloxiran-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(C)CO1
InChIInChI=1S/C6H11NO3/c1-6(4-10-6)3-7-5(8)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeySBSNRMYHXFMJOV-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.13
Rot. Bonds2

About methyl N-[(2-methyloxiran-2-yl)methyl]carbamate

methyl N-[(2-methyloxiran-2-yl)methyl]carbamate (PubChem CID 73120735) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl N-[(2-methyloxiran-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methyloxiran-2-yl)methyl]carbamate
PubChem CID73120735
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl N-[(2-methyloxiran-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(C)CO1
InChIInChI=1S/C6H11NO3/c1-6(4-10-6)3-7-5(8)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeySBSNRMYHXFMJOV-UHFFFAOYSA-N
XLogP0.13
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl N-[(2-methyloxiran-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methyloxiran-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methyloxiran-2-yl)methyl]carbamate (CID 73120735) is methyl N-[(2-methyloxiran-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methyloxiran-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methyloxiran-2-yl)methyl]carbamate is COC(=O)NCC1(C)CO1.
What is the InChIKey of methyl N-[(2-methyloxiran-2-yl)methyl]carbamate?
The InChIKey is SBSNRMYHXFMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(4-10-6)3-7-5(8)9-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl N-[(2-methyloxiran-2-yl)methyl]carbamate?
methyl N-[(2-methyloxiran-2-yl)methyl]carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methyloxiran-2-yl)methyl]carbamate is sourced from PubChem (CID 73120735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).