1-methylpyrrolidin-2-one;hydrate

C5H11NO2 — CID 22287110

IUPAC1-methylpyrrolidin-2-one;hydrate
SMILESCN1CCCC1=O.O
InChIInChI=1S/C5H9NO.H2O/c1-6-4-2-3-5(6)7;/h2-4H2,1H3;1H2
InChIKeyHCSCWJCZRCSQFA-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.59
Rot. Bonds

About 1-methylpyrrolidin-2-one;hydrate

1-methylpyrrolidin-2-one;hydrate (PubChem CID 22287110) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;hydrate.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;hydrate
PubChem CID22287110
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-methylpyrrolidin-2-one;hydrate
SMILESCN1CCCC1=O.O
InChIInChI=1S/C5H9NO.H2O/c1-6-4-2-3-5(6)7;/h2-4H2,1H3;1H2
InChIKeyHCSCWJCZRCSQFA-UHFFFAOYSA-N
XLogP-0.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;hydrate?
The IUPAC name of 1-methylpyrrolidin-2-one;hydrate (CID 22287110) is 1-methylpyrrolidin-2-one;hydrate.
What is the SMILES notation for 1-methylpyrrolidin-2-one;hydrate?
The canonical SMILES for 1-methylpyrrolidin-2-one;hydrate is CN1CCCC1=O.O.
What is the InChIKey of 1-methylpyrrolidin-2-one;hydrate?
The InChIKey is HCSCWJCZRCSQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H2O/c1-6-4-2-3-5(6)7;/h2-4H2,1H3;1H2.
What are the key properties of 1-methylpyrrolidin-2-one;hydrate?
1-methylpyrrolidin-2-one;hydrate has a molecular weight of 117.15 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;hydrate is sourced from PubChem (CID 22287110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).