8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one

C15H26N2O — CID 50956744

IUPAC8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC/C=C\CCCN1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-9-17-10-7-15(8-11-17)12-14(18)16-13-15/h3-4H,2,5-13H2,1H3,(H,16,18)/b4-3-
InChIKeyOCEZTTKJBAXDFC-ARJAWSKDSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds5

About 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50956744) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50956744
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCC/C=C\CCCN1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-6-9-17-10-7-15(8-11-17)12-14(18)16-13-15/h3-4H,2,5-13H2,1H3,(H,16,18)/b4-3-
InChIKeyOCEZTTKJBAXDFC-ARJAWSKDSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-{1-[(2E)-Hex-2-EN-1-YL]piperidin-4-YL}-N-methylacetamide
CID 56701855
2-[(3E)-4-methyl-3-hexen-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 72922392
(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
CID 164631868
3-Azaspiro[4,4]-non-7-en-2-one
CID 163196966
2-[1-(2,2-dimethylpent-4-en-1-yl)piperidin-4-yl]-N-methylacetamide
CID 56707119
3a,6,7-trimethyl-3,6,7,7a-tetrahydro-2H-isoindol-1-one
CID 54387723
(3R)-3-methyl-N-[[(1R)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-5-oxo-5-piperidin-1-ylpentanamide
CID 70477061
2-Azaspiro[4.5]dec-7-en-1-one
CID 85903586
2,9-Diazaspiro[5.5]undec-4-en-1-one
CID 89259547
7-Azaspiro[4.5]dec-2-en-6-one
CID 122663404
3-Ethyl-3-hexa-1,3,5-trien-3-ylpyrrolidin-2-one
CID 123915496
1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide
CID 129162042

Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50956744) is 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one is CC/C=C\CCCN1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OCEZTTKJBAXDFC-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-4-5-6-9-17-10-7-15(8-11-17)12-14(18)16-13-15/h3-4H,2,5-13H2,1H3,(H,16,18)/b4-3-.
What are the key properties of 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-hept-4-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50956744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).