3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one

C14H25NO — CID 79058169

IUPAC3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
SMILESCC(C)CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-12(2)11-13(16)14(7-3-4-8-14)15-9-5-6-10-15/h12H,3-11H2,1-2H3
InChIKeyXVJUKRBZVFPMBB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one

3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one (PubChem CID 79058169) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
PubChem CID79058169
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
SMILESCC(C)CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-12(2)11-13(16)14(7-3-4-8-14)15-9-5-6-10-15/h12H,3-11H2,1-2H3
InChIKeyXVJUKRBZVFPMBB-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one?
The IUPAC name of 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one (CID 79058169) is 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one?
The canonical SMILES for 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one is CC(C)CC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one?
The InChIKey is XVJUKRBZVFPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(2)11-13(16)14(7-3-4-8-14)15-9-5-6-10-15/h12H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one?
3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one is sourced from PubChem (CID 79058169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).