1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one

C11H19NO — CID 79056596

IUPAC1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,10(13)9-5-6-9)12-7-3-4-8-12/h9H,3-8H2,1-2H3
InChIKeyMBJIADCLHDWBNB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds3

About 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one

1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 79056596) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID79056596
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C11H19NO/c1-11(2,10(13)9-5-6-9)12-7-3-4-8-12/h9H,3-8H2,1-2H3
InChIKeyMBJIADCLHDWBNB-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 79056596) is 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)C1CC1)N1CCCC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MBJIADCLHDWBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,10(13)9-5-6-9)12-7-3-4-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79056596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).