[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate

C9H15NO3 — CID 142807025

IUPAC[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
SMILESNC(=O)O[C@H]1CC[C@]2(CCCO2)C1
InChIInChI=1S/C9H15NO3/c10-8(11)13-7-2-4-9(6-7)3-1-5-12-9/h7H,1-6H2,(H2,10,11)/t7-,9+/m0/s1
InChIKeyAFKYTEJGNYRKAO-IONNQARKSA-N
MW185.22 g/mol
LogP1.18
Rot. Bonds1

About [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate

[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate (PubChem CID 142807025) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate.

Molecular Properties

Compound Name[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
PubChem CID142807025
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
SMILESNC(=O)O[C@H]1CC[C@]2(CCCO2)C1
InChIInChI=1S/C9H15NO3/c10-8(11)13-7-2-4-9(6-7)3-1-5-12-9/h7H,1-6H2,(H2,10,11)/t7-,9+/m0/s1
InChIKeyAFKYTEJGNYRKAO-IONNQARKSA-N
XLogP1.18
TPSA61.55 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
[(8R)-5-oxaspiro[3.5]nonan-8-yl] methanesulfonate
CID 96581378
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
CID 130933893
6-oxaspiro[4.5]decan-9-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 79912174

Frequently Asked Questions

What is the IUPAC name of [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate?
The IUPAC name of [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate (CID 142807025) is [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate.
What is the SMILES notation for [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate?
The canonical SMILES for [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate is NC(=O)O[C@H]1CC[C@]2(CCCO2)C1.
What is the InChIKey of [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate?
The InChIKey is AFKYTEJGNYRKAO-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO3/c10-8(11)13-7-2-4-9(6-7)3-1-5-12-9/h7H,1-6H2,(H2,10,11)/t7-,9+/m0/s1.
What are the key properties of [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate?
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate is sourced from PubChem (CID 142807025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).