methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate

C11H20N2O3 — CID 118741538

IUPACmethyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCC2(CCNCC2)O1
InChIInChI=1S/C11H20N2O3/c1-15-10(14)13-8-9-2-3-11(16-9)4-6-12-7-5-11/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyOTXZSVXAZVRPRT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.64
Rot. Bonds2

About methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate

methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate (PubChem CID 118741538) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate
PubChem CID118741538
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCC2(CCNCC2)O1
InChIInChI=1S/C11H20N2O3/c1-15-10(14)13-8-9-2-3-11(16-9)4-6-12-7-5-11/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyOTXZSVXAZVRPRT-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate?
The IUPAC name of methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate (CID 118741538) is methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate is COC(=O)NCC1CCC2(CCNCC2)O1.
What is the InChIKey of methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate?
The InChIKey is OTXZSVXAZVRPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-10(14)13-8-9-2-3-11(16-9)4-6-12-7-5-11/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate?
methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate has a molecular weight of 228.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-oxa-8-azaspiro[4.5]decan-2-ylmethyl)carbamate is sourced from PubChem (CID 118741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).