methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate

C9H15NO3 — CID 130878031

IUPACmethyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
SMILESCOC(=O)NC1CC12CCOCC2
InChIInChI=1S/C9H15NO3/c1-12-8(11)10-7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIOXDQTQKAQCFMK-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.91
Rot. Bonds1

About methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate

methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate (PubChem CID 130878031) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
PubChem CID130878031
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
SMILESCOC(=O)NC1CC12CCOCC2
InChIInChI=1S/C9H15NO3/c1-12-8(11)10-7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyIOXDQTQKAQCFMK-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
methyl N-(1,4-dioxepan-6-yl)carbamate
CID 130643891
N-spiro[2.4]heptan-2-ylbutanamide
CID 130718596
2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate
CID 122276425
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 138010435

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate?
The IUPAC name of methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate (CID 130878031) is methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate?
The canonical SMILES for methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate is COC(=O)NC1CC12CCOCC2.
What is the InChIKey of methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate?
The InChIKey is IOXDQTQKAQCFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-8(11)10-7-6-9(7)2-4-13-5-3-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate?
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate is sourced from PubChem (CID 130878031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).