4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one

C14H27NO2 — CID 167242277

IUPAC4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one
SMILESCC(C)C(=O)CCOCC1CCCN1C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)14(16)7-9-17-10-13-6-5-8-15(13)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLGXLMFPQDSQULN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds7

About 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one

4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one (PubChem CID 167242277) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one
PubChem CID167242277
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one
SMILESCC(C)C(=O)CCOCC1CCCN1C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)14(16)7-9-17-10-13-6-5-8-15(13)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLGXLMFPQDSQULN-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one?
The IUPAC name of 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one (CID 167242277) is 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one?
The canonical SMILES for 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one is CC(C)C(=O)CCOCC1CCCN1C(C)C.
What is the InChIKey of 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one?
The InChIKey is LGXLMFPQDSQULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)14(16)7-9-17-10-13-6-5-8-15(13)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one?
4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one is sourced from PubChem (CID 167242277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).