1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone

C8H13NO — CID 58363600

IUPAC1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone
SMILESC=C1CC(C(C)=O)N(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(7(2)10)9(3)5-6/h8H,1,4-5H2,2-3H3
InChIKeyYOSMOFSFRLICTI-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds1

About 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone

1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone (PubChem CID 58363600) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone
PubChem CID58363600
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone
SMILESC=C1CC(C(C)=O)N(C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(7(2)10)9(3)5-6/h8H,1,4-5H2,2-3H3
InChIKeyYOSMOFSFRLICTI-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone (CID 58363600) is 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone is C=C1CC(C(C)=O)N(C)C1.
What is the InChIKey of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone?
The InChIKey is YOSMOFSFRLICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(7(2)10)9(3)5-6/h8H,1,4-5H2,2-3H3.
What are the key properties of 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone?
1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-methylidenepyrrolidin-2-yl)ethanone is sourced from PubChem (CID 58363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).