11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

C17H22N2O2 — CID 64959626

IUPAC11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCc1cccc(N2CCC(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)19-11-8-15(20)18-17(16(19)21)9-3-2-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyVUVOCTSKRGYWIQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds1

About 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64959626) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64959626
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCc1cccc(N2CCC(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)19-11-8-15(20)18-17(16(19)21)9-3-2-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,20)
InChIKeyVUVOCTSKRGYWIQ-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64959626) is 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is Cc1cccc(N2CCC(=O)NC3(CCCCC3)C2=O)c1.
What is the InChIKey of 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is VUVOCTSKRGYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-5-7-14(12-13)19-11-8-15(20)18-17(16(19)21)9-3-2-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,18,20).
What are the key properties of 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 286.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methylphenyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64959626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).