ethane;bis(pyrrolidin-2-one)

C10H20N2O2 — CID 68740235

IUPACethane;bis(pyrrolidin-2-one)
SMILESCC.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C2H6/c2*6-4-2-1-3-5-4;1-2/h2*1-3H2,(H,5,6);1-2H3
InChIKeyWQHKYEKUBMRRRF-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds

About ethane;bis(pyrrolidin-2-one)

ethane;bis(pyrrolidin-2-one) (PubChem CID 68740235) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethane;bis(pyrrolidin-2-one).

Molecular Properties

Compound Nameethane;bis(pyrrolidin-2-one)
PubChem CID68740235
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethane;bis(pyrrolidin-2-one)
SMILESCC.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.C2H6/c2*6-4-2-1-3-5-4;1-2/h2*1-3H2,(H,5,6);1-2H3
InChIKeyWQHKYEKUBMRRRF-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(pyrrolidin-2-one)?
The IUPAC name of ethane;bis(pyrrolidin-2-one) (CID 68740235) is ethane;bis(pyrrolidin-2-one).
What is the SMILES notation for ethane;bis(pyrrolidin-2-one)?
The canonical SMILES for ethane;bis(pyrrolidin-2-one) is CC.O=C1CCCN1.O=C1CCCN1.
What is the InChIKey of ethane;bis(pyrrolidin-2-one)?
The InChIKey is WQHKYEKUBMRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.C2H6/c2*6-4-2-1-3-5-4;1-2/h2*1-3H2,(H,5,6);1-2H3.
What are the key properties of ethane;bis(pyrrolidin-2-one)?
ethane;bis(pyrrolidin-2-one) has a molecular weight of 200.28 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(pyrrolidin-2-one) is sourced from PubChem (CID 68740235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).