9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C16H19ClN2O2 — CID 64965352

IUPAC9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(c1cccc(Cl)c1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-11(12-5-4-6-13(17)9-12)19-10-14(20)18-16(15(19)21)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,20)
InChIKeyNHYWSQOJMQDNDQ-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.67
Rot. Bonds2

About 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64965352) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64965352
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(c1cccc(Cl)c1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H19ClN2O2/c1-11(12-5-4-6-13(17)9-12)19-10-14(20)18-16(15(19)21)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,20)
InChIKeyNHYWSQOJMQDNDQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64965352) is 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is CC(c1cccc(Cl)c1)N1CC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is NHYWSQOJMQDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11(12-5-4-6-13(17)9-12)19-10-14(20)18-16(15(19)21)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,20).
What are the key properties of 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 306.79 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64965352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).