2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

C11H16N4O — CID 72708576

IUPAC2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCC1CCC2(CC1)N=C(N)NC(=O)C2C#N
InChIInChI=1S/C11H16N4O/c1-7-2-4-11(5-3-7)8(6-12)9(16)14-10(13)15-11/h7-8H,2-5H2,1H3,(H3,13,14,15,16)
InChIKeyUQMTVUULIHVNNJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.52
Rot. Bonds

About 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (PubChem CID 72708576) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.

Molecular Properties

Compound Name2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
PubChem CID72708576
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCC1CCC2(CC1)N=C(N)NC(=O)C2C#N
InChIInChI=1S/C11H16N4O/c1-7-2-4-11(5-3-7)8(6-12)9(16)14-10(13)15-11/h7-8H,2-5H2,1H3,(H3,13,14,15,16)
InChIKeyUQMTVUULIHVNNJ-UHFFFAOYSA-N
XLogP0.52
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The IUPAC name of 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (CID 72708576) is 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
What is the SMILES notation for 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The canonical SMILES for 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is CC1CCC2(CC1)N=C(N)NC(=O)C2C#N.
What is the InChIKey of 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The InChIKey is UQMTVUULIHVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-2-4-11(5-3-7)8(6-12)9(16)14-10(13)15-11/h7-8H,2-5H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is sourced from PubChem (CID 72708576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).