1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one

C17H29NO — CID 102303628

IUPAC1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one
SMILESCCC(C)CCCCC(=O)N1CCCC12C=CCC2
InChIInChI=1S/C17H29NO/c1-3-15(2)9-4-5-10-16(19)18-14-8-13-17(18)11-6-7-12-17/h6,11,15H,3-5,7-10,12-14H2,1-2H3
InChIKeyRRXNQNRRGYQXFV-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.30
Rot. Bonds6

About 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one

1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one (PubChem CID 102303628) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one.

Molecular Properties

Compound Name1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one
PubChem CID102303628
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one
SMILESCCC(C)CCCCC(=O)N1CCCC12C=CCC2
InChIInChI=1S/C17H29NO/c1-3-15(2)9-4-5-10-16(19)18-14-8-13-17(18)11-6-7-12-17/h6,11,15H,3-5,7-10,12-14H2,1-2H3
InChIKeyRRXNQNRRGYQXFV-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 90627288
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CID 574881
25-Methyl-5,9-heptacosadienoic acid pyrrolidide
CID 574957
7,9-Dimethyl-6-hexadecenoic acid pyrrolidide
CID 73835834
5,5-Bis(2-methylprop-2-enyl)-1-pent-4-enylpyrrolidin-2-one
CID 86060857
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CID 101720947
(8Z,10aS)-9-methyl-10a-(2-methylprop-2-enyl)-1,2,5,6,7,10-hexahydropyrrolo[1,2-a]azocin-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one?
The IUPAC name of 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one (CID 102303628) is 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one.
What is the SMILES notation for 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one?
The canonical SMILES for 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one is CCC(C)CCCCC(=O)N1CCCC12C=CCC2.
What is the InChIKey of 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one?
The InChIKey is RRXNQNRRGYQXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-15(2)9-4-5-10-16(19)18-14-8-13-17(18)11-6-7-12-17/h6,11,15H,3-5,7-10,12-14H2,1-2H3.
What are the key properties of 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one?
1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one has a molecular weight of 263.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azaspiro[4.4]non-8-en-1-yl)-6-methyloctan-1-one is sourced from PubChem (CID 102303628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).