2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide

C20H32N2O2 — CID 153333482

IUPAC2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
SMILESC=C/C=C(\C=C)CNC(=O)CCC.O=C1CC2(CCCCC2)CN1
InChIInChI=1S/C11H17NO.C9H15NO/c1-4-7-10(6-3)9-12-11(13)8-5-2;11-8-6-9(7-10-8)4-2-1-3-5-9/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13);1-7H2,(H,10,11)/b10-7+;
InChIKeyHRVXUXHLCMALJK-HCUGZAAXSA-N
MW332.49 g/mol
LogP3.66
Rot. Bonds6

About 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide

2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide (PubChem CID 153333482) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
PubChem CID153333482
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
SMILESC=C/C=C(\C=C)CNC(=O)CCC.O=C1CC2(CCCCC2)CN1
InChIInChI=1S/C11H17NO.C9H15NO/c1-4-7-10(6-3)9-12-11(13)8-5-2;11-8-6-9(7-10-8)4-2-1-3-5-9/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13);1-7H2,(H,10,11)/b10-7+;
InChIKeyHRVXUXHLCMALJK-HCUGZAAXSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide?
The IUPAC name of 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide (CID 153333482) is 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide.
What is the SMILES notation for 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide?
The canonical SMILES for 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide is C=C/C=C(\C=C)CNC(=O)CCC.O=C1CC2(CCCCC2)CN1.
What is the InChIKey of 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide?
The InChIKey is HRVXUXHLCMALJK-HCUGZAAXSA-N. The full InChI is InChI=1S/C11H17NO.C9H15NO/c1-4-7-10(6-3)9-12-11(13)8-5-2;11-8-6-9(7-10-8)4-2-1-3-5-9/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13);1-7H2,(H,10,11)/b10-7+;.
What are the key properties of 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide?
2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide has a molecular weight of 332.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide is sourced from PubChem (CID 153333482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).