6-iminospiro[3.5]nonan-8-one

C9H13NO — CID 123876538

IUPAC6-iminospiro[3.5]nonan-8-one
SMILES[H]/N=C1\CC(=O)CC2(CCC2)C1
InChIInChI=1S/C9H13NO/c10-7-4-8(11)6-9(5-7)2-1-3-9/h10H,1-6H2/b10-7+
InChIKeyJHFPQVPZNNGUSX-JXMROGBWSA-N
MW151.21 g/mol
LogP1.93
Rot. Bonds

About 6-iminospiro[3.5]nonan-8-one

6-iminospiro[3.5]nonan-8-one (PubChem CID 123876538) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-iminospiro[3.5]nonan-8-one.

Molecular Properties

Compound Name6-iminospiro[3.5]nonan-8-one
PubChem CID123876538
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-iminospiro[3.5]nonan-8-one
SMILES[H]/N=C1\CC(=O)CC2(CCC2)C1
InChIInChI=1S/C9H13NO/c10-7-4-8(11)6-9(5-7)2-1-3-9/h10H,1-6H2/b10-7+
InChIKeyJHFPQVPZNNGUSX-JXMROGBWSA-N
XLogP1.93
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

11-oxaspiro[5.9]pentadecane-8,10,12,14-tetrone
CID 141130807
dispiro[3.1.36.14]decan-8-one
CID 155821290
spiro[4.6]undecan-10-one
CID 15638085
spiro[3.5]nonane-2,7-dione
CID 130028978
CID 159016368
CID 159016368
spiro[2.7]decan-9-one
CID 130028945
3-azaspiro[5.6]dodecane-2,4-dione
CID 46911960
7-oxaspiro[3.5]nonan-2-one
CID 67451909
3-azaspiro[5.5]undecan-10-one
CID 59929925
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
3-cyclohexyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489474
4,4-dimethylspiro[5.5]undecane-2,10-dione
CID 10798425

Frequently Asked Questions

What is the IUPAC name of 6-iminospiro[3.5]nonan-8-one?
The IUPAC name of 6-iminospiro[3.5]nonan-8-one (CID 123876538) is 6-iminospiro[3.5]nonan-8-one.
What is the SMILES notation for 6-iminospiro[3.5]nonan-8-one?
The canonical SMILES for 6-iminospiro[3.5]nonan-8-one is [H]/N=C1\CC(=O)CC2(CCC2)C1.
What is the InChIKey of 6-iminospiro[3.5]nonan-8-one?
The InChIKey is JHFPQVPZNNGUSX-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-4-8(11)6-9(5-7)2-1-3-9/h10H,1-6H2/b10-7+.
What are the key properties of 6-iminospiro[3.5]nonan-8-one?
6-iminospiro[3.5]nonan-8-one has a molecular weight of 151.21 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminospiro[3.5]nonan-8-one is sourced from PubChem (CID 123876538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).