2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile

C12H16N4O2 — CID 71534910

IUPAC2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile
SMILESCC1(C)CC(O)=CC2(C1)N=C(N)NC(=O)C2C#N
InChIInChI=1S/C12H16N4O2/c1-11(2)3-7(17)4-12(6-11)8(5-13)9(18)15-10(14)16-12/h4,8,17H,3,6H2,1-2H3,(H3,14,15,16,18)
InChIKeyOWFSGUSEZFEIBV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.57
Rot. Bonds

About 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile

2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile (PubChem CID 71534910) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile.

Molecular Properties

Compound Name2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile
PubChem CID71534910
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile
SMILESCC1(C)CC(O)=CC2(C1)N=C(N)NC(=O)C2C#N
InChIInChI=1S/C12H16N4O2/c1-11(2)3-7(17)4-12(6-11)8(5-13)9(18)15-10(14)16-12/h4,8,17H,3,6H2,1-2H3,(H3,14,15,16,18)
InChIKeyOWFSGUSEZFEIBV-UHFFFAOYSA-N
XLogP0.57
TPSA111.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 86309063
4-(4-hydroxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 22621530
(3S,5R)-5-cyano-4,4-dimethyl-2,6-dioxopiperidine-3-carbothioamide
CID 97183618
(3S,3aR,6S,6aR)-3a,6a-dimethyl-2,5-dioxo-1,3,4,6-tetrahydropyrrolo[3,2-b]pyrrole-3,6-dicarbonitrile
CID 15557652
(3R,5S)-4-methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 51537056
2-amino-8,8-dimethyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 82996611
(5S,6R,8R,9R,11R)-2-amino-5,8-dihydroxy-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one
CID 177467948
ethyl (1R,5S)-1-cyano-2-oxo-4-sulfanylidene-3-azaspiro[5.5]undecane-5-carboxylate
CID 7300416
4-methyl-4-naphthalen-2-yl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 22621523
(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 42571209
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide
CID 729547
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7614099

Frequently Asked Questions

What is the IUPAC name of 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile?
The IUPAC name of 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile (CID 71534910) is 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile.
What is the SMILES notation for 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile?
The canonical SMILES for 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile is CC1(C)CC(O)=CC2(C1)N=C(N)NC(=O)C2C#N.
What is the InChIKey of 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile?
The InChIKey is OWFSGUSEZFEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-11(2)3-7(17)4-12(6-11)8(5-13)9(18)15-10(14)16-12/h4,8,17H,3,6H2,1-2H3,(H3,14,15,16,18).
What are the key properties of 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile?
2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-10-hydroxy-8,8-dimethyl-4-oxo-1,3-diazaspiro[5.5]undeca-1,10-diene-5-carbonitrile is sourced from PubChem (CID 71534910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).