1-amino-2-bromospiro[3.5]non-1-en-3-one

C9H12BrNO — CID 141067836

IUPAC1-amino-2-bromospiro[3.5]non-1-en-3-one
SMILESNC1=C(Br)C(=O)C12CCCCC2
InChIInChI=1S/C9H12BrNO/c10-6-7(11)9(8(6)12)4-2-1-3-5-9/h1-5,11H2
InChIKeyULLOSZSHBUVLAG-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.08
Rot. Bonds

About 1-amino-2-bromospiro[3.5]non-1-en-3-one

1-amino-2-bromospiro[3.5]non-1-en-3-one (PubChem CID 141067836) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-amino-2-bromospiro[3.5]non-1-en-3-one.

Molecular Properties

Compound Name1-amino-2-bromospiro[3.5]non-1-en-3-one
PubChem CID141067836
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-amino-2-bromospiro[3.5]non-1-en-3-one
SMILESNC1=C(Br)C(=O)C12CCCCC2
InChIInChI=1S/C9H12BrNO/c10-6-7(11)9(8(6)12)4-2-1-3-5-9/h1-5,11H2
InChIKeyULLOSZSHBUVLAG-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-bromospiro[3.5]non-1-en-3-one?
The IUPAC name of 1-amino-2-bromospiro[3.5]non-1-en-3-one (CID 141067836) is 1-amino-2-bromospiro[3.5]non-1-en-3-one.
What is the SMILES notation for 1-amino-2-bromospiro[3.5]non-1-en-3-one?
The canonical SMILES for 1-amino-2-bromospiro[3.5]non-1-en-3-one is NC1=C(Br)C(=O)C12CCCCC2.
What is the InChIKey of 1-amino-2-bromospiro[3.5]non-1-en-3-one?
The InChIKey is ULLOSZSHBUVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-6-7(11)9(8(6)12)4-2-1-3-5-9/h1-5,11H2.
What are the key properties of 1-amino-2-bromospiro[3.5]non-1-en-3-one?
1-amino-2-bromospiro[3.5]non-1-en-3-one has a molecular weight of 230.10 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-bromospiro[3.5]non-1-en-3-one is sourced from PubChem (CID 141067836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).