8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C15H17BrN2O3 — CID 138015893

IUPAC8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1COC2(CCN(C(=O)Cc3ccccc3Br)CC2)N1
InChIInChI=1S/C15H17BrN2O3/c16-12-4-2-1-3-11(12)9-14(20)18-7-5-15(6-8-18)17-13(19)10-21-15/h1-4H,5-10H2,(H,17,19)
InChIKeyYQPWXBZXYHSSIL-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.46
Rot. Bonds2

About 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 138015893) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID138015893
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1COC2(CCN(C(=O)Cc3ccccc3Br)CC2)N1
InChIInChI=1S/C15H17BrN2O3/c16-12-4-2-1-3-11(12)9-14(20)18-7-5-15(6-8-18)17-13(19)10-21-15/h1-4H,5-10H2,(H,17,19)
InChIKeyYQPWXBZXYHSSIL-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 138015893) is 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one is O=C1COC2(CCN(C(=O)Cc3ccccc3Br)CC2)N1.
What is the InChIKey of 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YQPWXBZXYHSSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c16-12-4-2-1-3-11(12)9-14(20)18-7-5-15(6-8-18)17-13(19)10-21-15/h1-4H,5-10H2,(H,17,19).
What are the key properties of 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 353.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-bromophenyl)acetyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 138015893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).