(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide

C8H13NO3 — CID 158487306

IUPAC(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
SMILESNC(=O)[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C8H13NO3/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H2,9,10)/t6-/m0/s1
InChIKeyFRTPCQTYUZWCKD-LURJTMIESA-N
MW171.20 g/mol
LogP0.01
Rot. Bonds1

About (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide

(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide (PubChem CID 158487306) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide.

Molecular Properties

Compound Name(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
PubChem CID158487306
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide
SMILESNC(=O)[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C8H13NO3/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H2,9,10)/t6-/m0/s1
InChIKeyFRTPCQTYUZWCKD-LURJTMIESA-N
XLogP0.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide?
The IUPAC name of (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide (CID 158487306) is (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide.
What is the SMILES notation for (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide?
The canonical SMILES for (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide is NC(=O)[C@H]1CCC2(C1)OCCO2.
What is the InChIKey of (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide?
The InChIKey is FRTPCQTYUZWCKD-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c9-7(10)6-1-2-8(5-6)11-3-4-12-8/h6H,1-5H2,(H2,9,10)/t6-/m0/s1.
What are the key properties of (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide?
(8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide has a molecular weight of 171.20 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1,4-dioxaspiro[4.4]nonane-8-carboxamide is sourced from PubChem (CID 158487306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).