ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate

C11H18N2O3 — CID 163238384

IUPACethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate
SMILESCCOC(=O)NC1CCC2(CC=NO2)CC1
InChIInChI=1S/C11H18N2O3/c1-2-15-10(14)13-9-3-5-11(6-4-9)7-8-12-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyOVVPAYXCQAQTML-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.82
Rot. Bonds2

About ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate

ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate (PubChem CID 163238384) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate
PubChem CID163238384
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate
SMILESCCOC(=O)NC1CCC2(CC=NO2)CC1
InChIInChI=1S/C11H18N2O3/c1-2-15-10(14)13-9-3-5-11(6-4-9)7-8-12-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyOVVPAYXCQAQTML-UHFFFAOYSA-N
XLogP1.82
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate?
The IUPAC name of ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate (CID 163238384) is ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate.
What is the SMILES notation for ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate?
The canonical SMILES for ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate is CCOC(=O)NC1CCC2(CC=NO2)CC1.
What is the InChIKey of ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate?
The InChIKey is OVVPAYXCQAQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-15-10(14)13-9-3-5-11(6-4-9)7-8-12-16-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate?
ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate is sourced from PubChem (CID 163238384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).