ethyl N-(cyclopropanecarbonyl)carbamate

C7H11NO3 — CID 45084465

IUPACethyl N-(cyclopropanecarbonyl)carbamate
SMILESCCOC(=O)NC(=O)C1CC1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)8-6(9)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyQWRISQNNBIOHNM-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds2

About ethyl N-(cyclopropanecarbonyl)carbamate

ethyl N-(cyclopropanecarbonyl)carbamate (PubChem CID 45084465) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl N-(cyclopropanecarbonyl)carbamate.

Molecular Properties

Compound Nameethyl N-(cyclopropanecarbonyl)carbamate
PubChem CID45084465
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl N-(cyclopropanecarbonyl)carbamate
SMILESCCOC(=O)NC(=O)C1CC1
InChIInChI=1S/C7H11NO3/c1-2-11-7(10)8-6(9)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10)
InChIKeyQWRISQNNBIOHNM-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(cyclopropanecarbonyl)carbamate?
The IUPAC name of ethyl N-(cyclopropanecarbonyl)carbamate (CID 45084465) is ethyl N-(cyclopropanecarbonyl)carbamate.
What is the SMILES notation for ethyl N-(cyclopropanecarbonyl)carbamate?
The canonical SMILES for ethyl N-(cyclopropanecarbonyl)carbamate is CCOC(=O)NC(=O)C1CC1.
What is the InChIKey of ethyl N-(cyclopropanecarbonyl)carbamate?
The InChIKey is QWRISQNNBIOHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-11-7(10)8-6(9)5-3-4-5/h5H,2-4H2,1H3,(H,8,9,10).
What are the key properties of ethyl N-(cyclopropanecarbonyl)carbamate?
ethyl N-(cyclopropanecarbonyl)carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(cyclopropanecarbonyl)carbamate is sourced from PubChem (CID 45084465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).