7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione

C9H12N2O2 — CID 121207254

IUPAC7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1CN(C2CC2)C(=O)C2(CC2)N1
InChIInChI=1S/C9H12N2O2/c12-7-5-11(6-1-2-6)8(13)9(10-7)3-4-9/h6H,1-5H2,(H,10,12)
InChIKeyMOKVVWYQHLTXLW-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.36
Rot. Bonds1

About 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione

7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 121207254) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID121207254
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1CN(C2CC2)C(=O)C2(CC2)N1
InChIInChI=1S/C9H12N2O2/c12-7-5-11(6-1-2-6)8(13)9(10-7)3-4-9/h6H,1-5H2,(H,10,12)
InChIKeyMOKVVWYQHLTXLW-UHFFFAOYSA-N
XLogP-0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione (CID 121207254) is 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione is O=C1CN(C2CC2)C(=O)C2(CC2)N1.
What is the InChIKey of 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is MOKVVWYQHLTXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-5-11(6-1-2-6)8(13)9(10-7)3-4-9/h6H,1-5H2,(H,10,12).
What are the key properties of 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione?
7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 180.21 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 121207254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).