1,7-diazaspiro[4.4]nona-3,8-dien-2-one

C7H8N2O — CID 134823981

IUPAC1,7-diazaspiro[4.4]nona-3,8-dien-2-one
SMILESO=C1C=CC2(C=CNC2)N1
InChIInChI=1S/C7H8N2O/c10-6-1-2-7(9-6)3-4-8-5-7/h1-4,8H,5H2,(H,9,10)
InChIKeyZZULYYPJYUBHRE-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.47
Rot. Bonds

About 1,7-diazaspiro[4.4]nona-3,8-dien-2-one

1,7-diazaspiro[4.4]nona-3,8-dien-2-one (PubChem CID 134823981) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,7-diazaspiro[4.4]nona-3,8-dien-2-one.

Molecular Properties

Compound Name1,7-diazaspiro[4.4]nona-3,8-dien-2-one
PubChem CID134823981
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,7-diazaspiro[4.4]nona-3,8-dien-2-one
SMILESO=C1C=CC2(C=CNC2)N1
InChIInChI=1S/C7H8N2O/c10-6-1-2-7(9-6)3-4-8-5-7/h1-4,8H,5H2,(H,9,10)
InChIKeyZZULYYPJYUBHRE-UHFFFAOYSA-N
XLogP-0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-diazaspiro[4.4]nona-3,8-diene
CID 142573410
1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
CID 67429086
2,2-dimethyl-1,3-dihydropyridin-6-one
CID 71348150
3,3-difluoro-1,2-dihydropyridin-4-one
CID 170742035
(2R)-2-methoxy-5-oxo-1H-pyrrole-2-carboxamide
CID 163107549
6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
CID 89405298
7-amino-7-methyl-1H-azepin-2-one
CID 90959063
pyrrole-2,5-dione;sulfur monoxide
CID 67998001
5-benzyl-5-methoxy-1H-pyrrol-2-one
CID 131843638
(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
CID 68607293
pyrrole-2,5-dione;sulfane
CID 87579772
methane;tetrakis(pyrrole-2,5-dione)
CID 173442855

Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[4.4]nona-3,8-dien-2-one?
The IUPAC name of 1,7-diazaspiro[4.4]nona-3,8-dien-2-one (CID 134823981) is 1,7-diazaspiro[4.4]nona-3,8-dien-2-one.
What is the SMILES notation for 1,7-diazaspiro[4.4]nona-3,8-dien-2-one?
The canonical SMILES for 1,7-diazaspiro[4.4]nona-3,8-dien-2-one is O=C1C=CC2(C=CNC2)N1.
What is the InChIKey of 1,7-diazaspiro[4.4]nona-3,8-dien-2-one?
The InChIKey is ZZULYYPJYUBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-6-1-2-7(9-6)3-4-8-5-7/h1-4,8H,5H2,(H,9,10).
What are the key properties of 1,7-diazaspiro[4.4]nona-3,8-dien-2-one?
1,7-diazaspiro[4.4]nona-3,8-dien-2-one has a molecular weight of 136.15 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[4.4]nona-3,8-dien-2-one is sourced from PubChem (CID 134823981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).