11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione

C15H22N2O2 — CID 116645589

IUPAC11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC#CCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O2/c1-2-3-7-11-17-12-8-13(18)16-15(14(17)19)9-5-4-6-10-15/h4-12H2,1H3,(H,16,18)
InChIKeyPCQVJABGBHMUCJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds2

About 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 116645589) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID116645589
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCC#CCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H22N2O2/c1-2-3-7-11-17-12-8-13(18)16-15(14(17)19)9-5-4-6-10-15/h4-12H2,1H3,(H,16,18)
InChIKeyPCQVJABGBHMUCJ-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 116645589) is 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione is CC#CCCN1CCC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is PCQVJABGBHMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-7-11-17-12-8-13(18)16-15(14(17)19)9-5-4-6-10-15/h4-12H2,1H3,(H,16,18).
What are the key properties of 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 262.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pent-3-ynyl-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 116645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).