7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione

C16H23NO2 — CID 134861962

IUPAC7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione
SMILESC=CCCN1C(=O)C2(CCCC2=O)CCC1CC=C
InChIInChI=1S/C16H23NO2/c1-3-5-12-17-13(7-4-2)9-11-16(15(17)19)10-6-8-14(16)18/h3-4,13H,1-2,5-12H2
InChIKeyBNLJJHFSQFSJIG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.87
Rot. Bonds5

About 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione

7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione (PubChem CID 134861962) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione.

Molecular Properties

Compound Name7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione
PubChem CID134861962
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione
SMILESC=CCCN1C(=O)C2(CCCC2=O)CCC1CC=C
InChIInChI=1S/C16H23NO2/c1-3-5-12-17-13(7-4-2)9-11-16(15(17)19)10-6-8-14(16)18/h3-4,13H,1-2,5-12H2
InChIKeyBNLJJHFSQFSJIG-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione?
The IUPAC name of 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione (CID 134861962) is 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione.
What is the SMILES notation for 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione?
The canonical SMILES for 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione is C=CCCN1C(=O)C2(CCCC2=O)CCC1CC=C.
What is the InChIKey of 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione?
The InChIKey is BNLJJHFSQFSJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-12-17-13(7-4-2)9-11-16(15(17)19)10-6-8-14(16)18/h3-4,13H,1-2,5-12H2.
What are the key properties of 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione?
7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione has a molecular weight of 261.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-8-prop-2-enyl-7-azaspiro[4.5]decane-4,6-dione is sourced from PubChem (CID 134861962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).