8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile

C10H12N4O3 — CID 102191912

IUPAC8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
SMILESCC1C(C)(O)NC(=O)C12C(=O)NC(N)=C2C#N
InChIInChI=1S/C10H12N4O3/c1-4-9(2,17)14-8(16)10(4)5(3-11)6(12)13-7(10)15/h4,17H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDUCOJBIDVDVXQG-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.73
Rot. Bonds

About 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile

8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile (PubChem CID 102191912) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile.

Molecular Properties

Compound Name8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
PubChem CID102191912
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
SMILESCC1C(C)(O)NC(=O)C12C(=O)NC(N)=C2C#N
InChIInChI=1S/C10H12N4O3/c1-4-9(2,17)14-8(16)10(4)5(3-11)6(12)13-7(10)15/h4,17H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDUCOJBIDVDVXQG-UHFFFAOYSA-N
XLogP-1.73
TPSA128.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5R)-8-amino-3-hydroxy-4-methyl-1,6-dioxo-3-phenyl-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile
CID 98085178
2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-4a,6-dihydro-1H-quinoline]-3'-carbonitrile
CID 3460786
(3R,3aS)-2'-amino-3a-methyl-2,5'-dioxospiro[1,4,5,6-tetrahydroindole-3,4'-1H-pyrrole]-3'-carbonitrile
CID 98085711
(3R,3aR)-2'-amino-3a-methyl-2,5'-dioxospiro[1,4,5,6-tetrahydroindole-3,4'-1H-pyrrole]-3'-carbonitrile
CID 98085712
(1R,5R)-3-iodo-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
CID 51616225
(1R,3S,5S,8R)-5-hydroxy-8-methyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 98349352
(1R,3R,5S,8S)-5-hydroxy-8-methyl-7-oxo-3-phenyl-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
CID 930319
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
CID 4090682
(2S,3S,4S)-2,4-dihydroxy-2,4-dimethyl-6-oxopiperidine-3-carboxamide
CID 124930511
(3S,3aR,6S,6aR)-3a,6a-dimethyl-2,5-dioxo-1,3,4,6-tetrahydropyrrolo[3,2-b]pyrrole-3,6-dicarbonitrile
CID 15557652
4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
CID 10607116

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile?
The IUPAC name of 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile (CID 102191912) is 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile.
What is the SMILES notation for 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile?
The canonical SMILES for 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile is CC1C(C)(O)NC(=O)C12C(=O)NC(N)=C2C#N.
What is the InChIKey of 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile?
The InChIKey is DUCOJBIDVDVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-4-9(2,17)14-8(16)10(4)5(3-11)6(12)13-7(10)15/h4,17H,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile?
8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of -1.73, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-hydroxy-3,4-dimethyl-1,6-dioxo-2,7-diazaspiro[4.4]non-8-ene-9-carbonitrile is sourced from PubChem (CID 102191912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).