3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one

C13H25NO — CID 106982100

IUPAC3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one
SMILESCCC(C)CC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H25NO/c1-5-11(4)8-12(15)13(10(2)3)6-7-14-9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyZDYBKZDPZIICCZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds5

About 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one

3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one (PubChem CID 106982100) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one
PubChem CID106982100
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one
SMILESCCC(C)CC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H25NO/c1-5-11(4)8-12(15)13(10(2)3)6-7-14-9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyZDYBKZDPZIICCZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The IUPAC name of 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one (CID 106982100) is 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one is CCC(C)CC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The InChIKey is ZDYBKZDPZIICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11(4)8-12(15)13(10(2)3)6-7-14-9-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one is sourced from PubChem (CID 106982100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).