butane;bis(pyrrolidin-2-one)

C12H24N2O2 — CID 68556087

IUPACbutane;bis(pyrrolidin-2-one)
SMILESCCCC.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C4H10/c2*6-4-2-1-3-5-4;1-3-4-2/h2*1-3H2,(H,5,6);3-4H2,1-2H3
InChIKeyNMPQVWZKPCUTLL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds1

About butane;bis(pyrrolidin-2-one)

butane;bis(pyrrolidin-2-one) (PubChem CID 68556087) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is butane;bis(pyrrolidin-2-one).

Molecular Properties

Compound Namebutane;bis(pyrrolidin-2-one)
PubChem CID68556087
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namebutane;bis(pyrrolidin-2-one)
SMILESCCCC.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C4H10/c2*6-4-2-1-3-5-4;1-3-4-2/h2*1-3H2,(H,5,6);3-4H2,1-2H3
InChIKeyNMPQVWZKPCUTLL-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;bis(pyrrolidin-2-one)?
The IUPAC name of butane;bis(pyrrolidin-2-one) (CID 68556087) is butane;bis(pyrrolidin-2-one).
What is the SMILES notation for butane;bis(pyrrolidin-2-one)?
The canonical SMILES for butane;bis(pyrrolidin-2-one) is CCCC.O=C1CCCN1.O=C1CCCN1.
What is the InChIKey of butane;bis(pyrrolidin-2-one)?
The InChIKey is NMPQVWZKPCUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.C4H10/c2*6-4-2-1-3-5-4;1-3-4-2/h2*1-3H2,(H,5,6);3-4H2,1-2H3.
What are the key properties of butane;bis(pyrrolidin-2-one)?
butane;bis(pyrrolidin-2-one) has a molecular weight of 228.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(pyrrolidin-2-one) is sourced from PubChem (CID 68556087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).