4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

C13H17NO2 — CID 10680390

IUPAC4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1CC(=C)C2(CCCCC2=O)C1=O
InChIInChI=1S/C13H17NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3H,1-2,4-9H2
InChIKeyVQPJFGCKJKUBRQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.70
Rot. Bonds2

About 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione

4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (PubChem CID 10680390) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.

Molecular Properties

Compound Name4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
PubChem CID10680390
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione
SMILESC=CCN1CC(=C)C2(CCCCC2=O)C1=O
InChIInChI=1S/C13H17NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3H,1-2,4-9H2
InChIKeyVQPJFGCKJKUBRQ-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.70
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 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The IUPAC name of 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione (CID 10680390) is 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione.
What is the SMILES notation for 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The canonical SMILES for 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is C=CCN1CC(=C)C2(CCCCC2=O)C1=O.
What is the InChIKey of 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
The InChIKey is VQPJFGCKJKUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-8-14-9-10(2)13(12(14)16)7-5-4-6-11(13)15/h3H,1-2,4-9H2.
What are the key properties of 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione?
4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione has a molecular weight of 219.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-prop-2-enyl-2-azaspiro[4.5]decane-1,6-dione is sourced from PubChem (CID 10680390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).