3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one

C14H16N2O — CID 22428768

IUPAC3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESCc1ccc(C2=NC3(CCCC3)NC2=O)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)12-13(17)16-14(15-12)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYEANQRNIAVOYSI-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.18
Rot. Bonds1

About 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one

3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (PubChem CID 22428768) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
PubChem CID22428768
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESCc1ccc(C2=NC3(CCCC3)NC2=O)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)12-13(17)16-14(15-12)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyYEANQRNIAVOYSI-UHFFFAOYSA-N
XLogP2.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one (CID 22428768) is 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is Cc1ccc(C2=NC3(CCCC3)NC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is YEANQRNIAVOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)12-13(17)16-14(15-12)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one?
3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 22428768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).