2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one

C20H33NO — CID 67135790

IUPAC2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one
SMILESC=C(C/C(=C/C)CCN1CC2(CCCCC2)CC1=O)C(C)C
InChIInChI=1S/C20H33NO/c1-5-18(13-17(4)16(2)3)9-12-21-15-20(14-19(21)22)10-7-6-8-11-20/h5,16H,4,6-15H2,1-3H3/b18-5+
InChIKeyYBNABCAFYHLNMN-BLLMUTORSA-N
MW303.49 g/mol
LogP5.11
Rot. Bonds6

About 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one

2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one (PubChem CID 67135790) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one
PubChem CID67135790
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one
SMILESC=C(C/C(=C/C)CCN1CC2(CCCCC2)CC1=O)C(C)C
InChIInChI=1S/C20H33NO/c1-5-18(13-17(4)16(2)3)9-12-21-15-20(14-19(21)22)10-7-6-8-11-20/h5,16H,4,6-15H2,1-3H3/b18-5+
InChIKeyYBNABCAFYHLNMN-BLLMUTORSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one (CID 67135790) is 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one is C=C(C/C(=C/C)CCN1CC2(CCCCC2)CC1=O)C(C)C.
What is the InChIKey of 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one?
The InChIKey is YBNABCAFYHLNMN-BLLMUTORSA-N. The full InChI is InChI=1S/C20H33NO/c1-5-18(13-17(4)16(2)3)9-12-21-15-20(14-19(21)22)10-7-6-8-11-20/h5,16H,4,6-15H2,1-3H3/b18-5+.
What are the key properties of 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one?
2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one has a molecular weight of 303.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-ethylidene-6-methyl-5-methylideneheptyl]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 67135790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).