4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile

C10H14N2O2 — CID 45091872

IUPAC4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile
SMILESCC1(C#N)NC(=O)OC12CCCCC2
InChIInChI=1S/C10H14N2O2/c1-9(7-11)10(14-8(13)12-9)5-3-2-4-6-10/h2-6H2,1H3,(H,12,13)
InChIKeyPDSGEZASOPETJM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.71
Rot. Bonds

About 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile

4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile (PubChem CID 45091872) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile
PubChem CID45091872
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile
SMILESCC1(C#N)NC(=O)OC12CCCCC2
InChIInChI=1S/C10H14N2O2/c1-9(7-11)10(14-8(13)12-9)5-3-2-4-6-10/h2-6H2,1H3,(H,12,13)
InChIKeyPDSGEZASOPETJM-UHFFFAOYSA-N
XLogP1.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-oxaspiro[3.6]decan-2-one
CID 14540537
13-oxadispiro[4.0.66.25]tetradecan-14-one
CID 10465651
(1S,5R)-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cycloheptane]-1,5-dicarbonitrile
CID 8607229
1,5-dimethyl-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
CID 170346594
1-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 65298575
6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
CID 18731842
4-methyl-3-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)pent-2-enenitrile
CID 68916668
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603
4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
CID 137346492
4-methyl-4-(1-methylcyclopropyl)-1-azaspiro[4.5]decan-2-one
CID 165462793
1-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexane-1-carbonitrile
CID 55170024
4-[1-(4,4-dimethyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-1-oxopropan-2-yl]benzonitrile
CID 167889422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile (CID 45091872) is 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile is CC1(C#N)NC(=O)OC12CCCCC2.
What is the InChIKey of 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile?
The InChIKey is PDSGEZASOPETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-9(7-11)10(14-8(13)12-9)5-3-2-4-6-10/h2-6H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile?
4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-4-carbonitrile is sourced from PubChem (CID 45091872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).