8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione

C15H17ClN2O2 — CID 64673255

IUPAC8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione
SMILESCc1ccc(N2C(=O)CC3(CCCC3)NC2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-13(19)9-15(17-14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyVPDCQEPHIZLBKZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.41
Rot. Bonds1

About 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione

8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione (PubChem CID 64673255) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione
PubChem CID64673255
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione
SMILESCc1ccc(N2C(=O)CC3(CCCC3)NC2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-13(19)9-15(17-14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)
InChIKeyVPDCQEPHIZLBKZ-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione (CID 64673255) is 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione is Cc1ccc(N2C(=O)CC3(CCCC3)NC2=O)cc1Cl.
What is the InChIKey of 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione?
The InChIKey is VPDCQEPHIZLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-13(19)9-15(17-14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20).
What are the key properties of 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione?
8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione has a molecular weight of 292.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-methylphenyl)-6,8-diazaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 64673255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).