2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C12H21NO — CID 106982172

IUPAC2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CC2)CCNC1
InChIInChI=1S/C12H21NO/c1-9(2)12(5-6-13-8-12)11(14)7-10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBXINYMMEXHSPPJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982172) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982172
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CC2)CCNC1
InChIInChI=1S/C12H21NO/c1-9(2)12(5-6-13-8-12)11(14)7-10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBXINYMMEXHSPPJ-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)but-3-en-1-one
CID 106982318
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982353
1-(3-propan-2-ylpyrrolidin-3-yl)pent-4-en-1-one
CID 106982177
1-(3-propan-2-ylpyrrolidin-3-yl)-2-propoxyethanone
CID 106982213
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093
3-tert-butylsulfonyl-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982343
N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980499

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982172) is 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CC(C)C1(C(=O)CC2CC2)CCNC1.
What is the InChIKey of 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is BXINYMMEXHSPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)12(5-6-13-8-12)11(14)7-10-3-4-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).