5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide

C11H17N3O2 — CID 142283797

IUPAC5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide
SMILESC=CCCN1C(C(N)=O)CCC12CNC2=O
InChIInChI=1S/C11H17N3O2/c1-2-3-6-14-8(9(12)15)4-5-11(14)7-13-10(11)16/h2,8H,1,3-7H2,(H2,12,15)(H,13,16)
InChIKeyNVMSZNHNKLBLDE-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.62
Rot. Bonds4

About 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide

5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide (PubChem CID 142283797) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound Name5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide
PubChem CID142283797
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide
SMILESC=CCCN1C(C(N)=O)CCC12CNC2=O
InChIInChI=1S/C11H17N3O2/c1-2-3-6-14-8(9(12)15)4-5-11(14)7-13-10(11)16/h2,8H,1,3-7H2,(H2,12,15)(H,13,16)
InChIKeyNVMSZNHNKLBLDE-UHFFFAOYSA-N
XLogP-0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide?
The IUPAC name of 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide (CID 142283797) is 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide is C=CCCN1C(C(N)=O)CCC12CNC2=O.
What is the InChIKey of 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide?
The InChIKey is NVMSZNHNKLBLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-6-14-8(9(12)15)4-5-11(14)7-13-10(11)16/h2,8H,1,3-7H2,(H2,12,15)(H,13,16).
What are the key properties of 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide?
5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 142283797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).