1-methylpyrrolidin-2-one;pyrrolidin-2-one

C9H16N2O2 — CID 18188451

IUPAC1-methylpyrrolidin-2-one;pyrrolidin-2-one
SMILESCN1CCCC1=O.O=C1CCCN1
InChIInChI=1S/C5H9NO.C4H7NO/c1-6-4-2-3-5(6)7;6-4-2-1-3-5-4/h2-4H2,1H3;1-3H2,(H,5,6)
InChIKeySSUBAQORPAUJGD-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.14
Rot. Bonds

About 1-methylpyrrolidin-2-one;pyrrolidin-2-one

1-methylpyrrolidin-2-one;pyrrolidin-2-one (PubChem CID 18188451) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;pyrrolidin-2-one
PubChem CID18188451
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methylpyrrolidin-2-one;pyrrolidin-2-one
SMILESCN1CCCC1=O.O=C1CCCN1
InChIInChI=1S/C5H9NO.C4H7NO/c1-6-4-2-3-5(6)7;6-4-2-1-3-5-4/h2-4H2,1H3;1-3H2,(H,5,6)
InChIKeySSUBAQORPAUJGD-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The IUPAC name of 1-methylpyrrolidin-2-one;pyrrolidin-2-one (CID 18188451) is 1-methylpyrrolidin-2-one;pyrrolidin-2-one.
What is the SMILES notation for 1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The canonical SMILES for 1-methylpyrrolidin-2-one;pyrrolidin-2-one is CN1CCCC1=O.O=C1CCCN1.
What is the InChIKey of 1-methylpyrrolidin-2-one;pyrrolidin-2-one?
The InChIKey is SSUBAQORPAUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H7NO/c1-6-4-2-3-5(6)7;6-4-2-1-3-5-4/h2-4H2,1H3;1-3H2,(H,5,6).
What are the key properties of 1-methylpyrrolidin-2-one;pyrrolidin-2-one?
1-methylpyrrolidin-2-one;pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;pyrrolidin-2-one is sourced from PubChem (CID 18188451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).