3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one

C10H16N2O — CID 155348030

IUPAC3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESC=C1CCN(C2CCN(C)C2)C1=O
InChIInChI=1S/C10H16N2O/c1-8-3-6-12(10(8)13)9-4-5-11(2)7-9/h9H,1,3-7H2,2H3
InChIKeyBWYIZRMFRSSRGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.48
Rot. Bonds1

About 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one

3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one (PubChem CID 155348030) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
PubChem CID155348030
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
SMILESC=C1CCN(C2CCN(C)C2)C1=O
InChIInChI=1S/C10H16N2O/c1-8-3-6-12(10(8)13)9-4-5-11(2)7-9/h9H,1,3-7H2,2H3
InChIKeyBWYIZRMFRSSRGU-UHFFFAOYSA-N
XLogP0.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one (CID 155348030) is 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one is C=C1CCN(C2CCN(C)C2)C1=O.
What is the InChIKey of 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
The InChIKey is BWYIZRMFRSSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-6-12(10(8)13)9-4-5-11(2)7-9/h9H,1,3-7H2,2H3.
What are the key properties of 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one?
3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 155348030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).