ethyl N-(2-but-3-enoxyethyl)carbamate

C9H17NO3 — CID 103855701

IUPACethyl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-7-12-8-6-10-9(11)13-4-2/h3H,1,4-8H2,2H3,(H,10,11)
InChIKeyBOOINSSJCZUTTM-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.33
Rot. Bonds7

About ethyl N-(2-but-3-enoxyethyl)carbamate

ethyl N-(2-but-3-enoxyethyl)carbamate (PubChem CID 103855701) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl N-(2-but-3-enoxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-but-3-enoxyethyl)carbamate
PubChem CID103855701
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl N-(2-but-3-enoxyethyl)carbamate
SMILESC=CCCOCCNC(=O)OCC
InChIInChI=1S/C9H17NO3/c1-3-5-7-12-8-6-10-9(11)13-4-2/h3H,1,4-8H2,2H3,(H,10,11)
InChIKeyBOOINSSJCZUTTM-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-but-3-enoxyethyl)carbamate?
The IUPAC name of ethyl N-(2-but-3-enoxyethyl)carbamate (CID 103855701) is ethyl N-(2-but-3-enoxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2-but-3-enoxyethyl)carbamate?
The canonical SMILES for ethyl N-(2-but-3-enoxyethyl)carbamate is C=CCCOCCNC(=O)OCC.
What is the InChIKey of ethyl N-(2-but-3-enoxyethyl)carbamate?
The InChIKey is BOOINSSJCZUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-7-12-8-6-10-9(11)13-4-2/h3H,1,4-8H2,2H3,(H,10,11).
What are the key properties of ethyl N-(2-but-3-enoxyethyl)carbamate?
ethyl N-(2-but-3-enoxyethyl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-but-3-enoxyethyl)carbamate is sourced from PubChem (CID 103855701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).