propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate

C8H15NO3 — CID 91172551

IUPACpropan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCC1CO1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)9-4-3-7-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyLJRPAAHOYAEQRB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.91
Rot. Bonds4

About propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate

propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate (PubChem CID 91172551) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
PubChem CID91172551
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepropan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCC1CO1
InChIInChI=1S/C8H15NO3/c1-6(2)12-8(10)9-4-3-7-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyLJRPAAHOYAEQRB-UHFFFAOYSA-N
XLogP0.91
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.91
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

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N-[2-(oxiran-2-yl)ethyl]carbamoyl iodide
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propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
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propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
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N-[2-(oxiran-2-yl)ethyl]propan-2-amine
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methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
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propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
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propan-2-yl N-(3-methylsulfonylpropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate (CID 91172551) is propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate is CC(C)OC(=O)NCCC1CO1.
What is the InChIKey of propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate?
The InChIKey is LJRPAAHOYAEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)12-8(10)9-4-3-7-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate?
propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate is sourced from PubChem (CID 91172551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).