6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

C16H19ClN2O2 — CID 64874117

IUPAC6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-11-14(20)19(10-12-5-4-6-13(17)9-12)16(15(21)18-11)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,21)
InChIKeySGUZJFMBEMAQNL-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.50
Rot. Bonds2

About 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64874117) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64874117
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-11-14(20)19(10-12-5-4-6-13(17)9-12)16(15(21)18-11)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,21)
InChIKeySGUZJFMBEMAQNL-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64874117) is 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is CC1NC(=O)C2(CCCC2)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is SGUZJFMBEMAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-14(20)19(10-12-5-4-6-13(17)9-12)16(15(21)18-11)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,21).
What are the key properties of 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.79 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64874117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).