oxiran-2-ylmethyl N-propan-2-ylcarbamate

C7H13NO3 — CID 19812627

IUPACoxiran-2-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CO1
InChIInChI=1S/C7H13NO3/c1-5(2)8-7(9)11-4-6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyALEPOPHIUSQKBV-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.52
Rot. Bonds3

About oxiran-2-ylmethyl N-propan-2-ylcarbamate

oxiran-2-ylmethyl N-propan-2-ylcarbamate (PubChem CID 19812627) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-propan-2-ylcarbamate
PubChem CID19812627
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameoxiran-2-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1CO1
InChIInChI=1S/C7H13NO3/c1-5(2)8-7(9)11-4-6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyALEPOPHIUSQKBV-UHFFFAOYSA-N
XLogP0.52
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propan-2-yl propan-2-ylcarbamate
CID 231796
2-hydroxypropyl N-propan-2-ylcarbamate
CID 12437665
oxiran-2-ylmethyl N-methylcarbamate
CID 19812629
oxiran-2-ylmethyl N-ethylcarbamate
CID 19812631
butan-2-yl N-propan-2-ylcarbamate
CID 53831372
Isopropyl cyclopropylcarbamate
CID 57225012
2,3-dimethoxypropyl N-ethylcarbamate
CID 58612429
oxiran-2-ylmethyl N-butan-2-ylcarbamate
CID 59687553
CID 59804607
CID 59804607
azane;propan-2-yl N-propan-2-ylcarbamate
CID 87313136
2-aminooxyethyl N-propan-2-ylcarbamate
CID 87899151
[2-methoxy-3-(propan-2-ylcarbamoyloxy)propyl] N-propan-2-ylcarbamate
CID 88562623

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-propan-2-ylcarbamate?
The IUPAC name of oxiran-2-ylmethyl N-propan-2-ylcarbamate (CID 19812627) is oxiran-2-ylmethyl N-propan-2-ylcarbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-propan-2-ylcarbamate?
The canonical SMILES for oxiran-2-ylmethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-propan-2-ylcarbamate?
The InChIKey is ALEPOPHIUSQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)8-7(9)11-4-6-3-10-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of oxiran-2-ylmethyl N-propan-2-ylcarbamate?
oxiran-2-ylmethyl N-propan-2-ylcarbamate has a molecular weight of 159.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 19812627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).