ethyl N-propan-2-ylcarbamate

C6H13NO2 — CID 17433

IUPACethyl N-propan-2-ylcarbamate
SMILESCCOC(=O)NC(C)C
InChIInChI=1S/C6H13NO2/c1-4-9-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyJGRPZAGOYKNIAC-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.14
Rot. Bonds2

About ethyl N-propan-2-ylcarbamate

ethyl N-propan-2-ylcarbamate (PubChem CID 17433) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-propan-2-ylcarbamate
PubChem CID17433
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl N-propan-2-ylcarbamate
SMILESCCOC(=O)NC(C)C
InChIInChI=1S/C6H13NO2/c1-4-9-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyJGRPZAGOYKNIAC-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-propan-2-ylcarbamate (CID 17433) is ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-propan-2-ylcarbamate is CCOC(=O)NC(C)C.
What is the InChIKey of ethyl N-propan-2-ylcarbamate?
The InChIKey is JGRPZAGOYKNIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-9-6(8)7-5(2)3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of ethyl N-propan-2-ylcarbamate?
ethyl N-propan-2-ylcarbamate has a molecular weight of 131.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 17433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).