astatane;pyrrolidin-2-one

C4H8AtNO — CID 174831438

IUPACastatane;pyrrolidin-2-one
SMILESO=C1CCCN1.[AtH]
InChIInChI=1S/C4H7NO.AtH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H
InChIKeyGDYVJXDWCPJGNL-UHFFFAOYSA-N
MW296.11 g/mol
LogP-0.37
Rot. Bonds

About astatane;pyrrolidin-2-one

astatane;pyrrolidin-2-one (PubChem CID 174831438) has the molecular formula C4H8AtNO and a molecular weight of 296.11 g/mol. Its IUPAC name is astatane;pyrrolidin-2-one.

Molecular Properties

Compound Nameastatane;pyrrolidin-2-one
PubChem CID174831438
Molecular FormulaC4H8AtNO
Molecular Weight296.11 g/mol
Exact Mass296.05
IUPAC Nameastatane;pyrrolidin-2-one
SMILESO=C1CCCN1.[AtH]
InChIInChI=1S/C4H7NO.AtH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H
InChIKeyGDYVJXDWCPJGNL-UHFFFAOYSA-N
XLogP-0.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of astatane;pyrrolidin-2-one?
The IUPAC name of astatane;pyrrolidin-2-one (CID 174831438) is astatane;pyrrolidin-2-one.
What is the SMILES notation for astatane;pyrrolidin-2-one?
The canonical SMILES for astatane;pyrrolidin-2-one is O=C1CCCN1.[AtH].
What is the InChIKey of astatane;pyrrolidin-2-one?
The InChIKey is GDYVJXDWCPJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.AtH/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H.
What are the key properties of astatane;pyrrolidin-2-one?
astatane;pyrrolidin-2-one has a molecular weight of 296.11 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for astatane;pyrrolidin-2-one is sourced from PubChem (CID 174831438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).