9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C15H17ClN2O2 — CID 64961639

IUPAC9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-9-13(19)17-15(14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyVGNILFUWDPWTOS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.42
Rot. Bonds1

About 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64961639) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64961639
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-9-13(19)17-15(14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyVGNILFUWDPWTOS-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64961639) is 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is Cc1ccc(N2CC(=O)NC3(CCCC3)C2=O)cc1Cl.
What is the InChIKey of 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is VGNILFUWDPWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-4-5-11(8-12(10)16)18-9-13(19)17-15(14(18)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19).
What are the key properties of 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 292.77 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64961639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).