2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one

C10H17NO — CID 134235923

IUPAC2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one
SMILESC=C1CNC(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-7-5-8(11-6-7)9(12)10(2,3)4/h8,11H,1,5-6H2,2-4H3
InChIKeyZQWIFSDCPAAATR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds1

About 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one

2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one (PubChem CID 134235923) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one
PubChem CID134235923
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one
SMILESC=C1CNC(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-7-5-8(11-6-7)9(12)10(2,3)4/h8,11H,1,5-6H2,2-4H3
InChIKeyZQWIFSDCPAAATR-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one (CID 134235923) is 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one is C=C1CNC(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one?
The InChIKey is ZQWIFSDCPAAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-8(11-6-7)9(12)10(2,3)4/h8,11H,1,5-6H2,2-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one?
2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylidenepyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 134235923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).