1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one

C15H27NO2 — CID 90247385

IUPAC1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCCC1CC[C@@H](C)N1C(=O)C(C)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-4-14-6-5-11(2)16(14)15(17)12(3)13-7-9-18-10-8-13/h11-14H,4-10H2,1-3H3/t11-,12?,14?/m1/s1
InChIKeyFAMPMJRSABBDHS-LKSINWNRSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds3

About 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one

1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one (PubChem CID 90247385) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
PubChem CID90247385
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCCC1CC[C@@H](C)N1C(=O)C(C)C1CCOCC1
InChIInChI=1S/C15H27NO2/c1-4-14-6-5-11(2)16(14)15(17)12(3)13-7-9-18-10-8-13/h11-14H,4-10H2,1-3H3/t11-,12?,14?/m1/s1
InChIKeyFAMPMJRSABBDHS-LKSINWNRSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one (CID 90247385) is 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one is CCC1CC[C@@H](C)N1C(=O)C(C)C1CCOCC1.
What is the InChIKey of 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The InChIKey is FAMPMJRSABBDHS-LKSINWNRSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-14-6-5-11(2)16(14)15(17)12(3)13-7-9-18-10-8-13/h11-14H,4-10H2,1-3H3/t11-,12?,14?/m1/s1.
What are the key properties of 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 90247385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).