bis(1-methylpyrrolidin-2-one);hydrate

C10H20N2O3 — CID 66610922

IUPACbis(1-methylpyrrolidin-2-one);hydrate
SMILESCN1CCCC1=O.CN1CCCC1=O.O
InChIInChI=1S/2C5H9NO.H2O/c2*1-6-4-2-3-5(6)7;/h2*2-4H2,1H3;1H2
InChIKeyVMQPGBUDMKLMID-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds

About bis(1-methylpyrrolidin-2-one);hydrate

bis(1-methylpyrrolidin-2-one);hydrate (PubChem CID 66610922) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is bis(1-methylpyrrolidin-2-one);hydrate.

Molecular Properties

Compound Namebis(1-methylpyrrolidin-2-one);hydrate
PubChem CID66610922
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namebis(1-methylpyrrolidin-2-one);hydrate
SMILESCN1CCCC1=O.CN1CCCC1=O.O
InChIInChI=1S/2C5H9NO.H2O/c2*1-6-4-2-3-5(6)7;/h2*2-4H2,1H3;1H2
InChIKeyVMQPGBUDMKLMID-UHFFFAOYSA-N
XLogP-0.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylpyrrolidin-2-one);hydrate?
The IUPAC name of bis(1-methylpyrrolidin-2-one);hydrate (CID 66610922) is bis(1-methylpyrrolidin-2-one);hydrate.
What is the SMILES notation for bis(1-methylpyrrolidin-2-one);hydrate?
The canonical SMILES for bis(1-methylpyrrolidin-2-one);hydrate is CN1CCCC1=O.CN1CCCC1=O.O.
What is the InChIKey of bis(1-methylpyrrolidin-2-one);hydrate?
The InChIKey is VMQPGBUDMKLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9NO.H2O/c2*1-6-4-2-3-5(6)7;/h2*2-4H2,1H3;1H2.
What are the key properties of bis(1-methylpyrrolidin-2-one);hydrate?
bis(1-methylpyrrolidin-2-one);hydrate has a molecular weight of 216.28 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpyrrolidin-2-one);hydrate is sourced from PubChem (CID 66610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).