8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C9H14N2O2 — CID 16789452

IUPAC8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C9H14N2O2/c10-7-8(11)1-3-9(4-2-8)12-5-6-13-9/h1-6,11H2
InChIKeyDCOVNWPDKUEWDM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.52
Rot. Bonds

About 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 16789452) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID16789452
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C9H14N2O2/c10-7-8(11)1-3-9(4-2-8)12-5-6-13-9/h1-6,11H2
InChIKeyDCOVNWPDKUEWDM-UHFFFAOYSA-N
XLogP0.52
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 16789452) is 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile is N#CC1(N)CCC2(CC1)OCCO2.
What is the InChIKey of 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is DCOVNWPDKUEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-7-8(11)1-3-9(4-2-8)12-5-6-13-9/h1-6,11H2.
What are the key properties of 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 182.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 16789452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).