2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone

C12H21NO2 — CID 137411548

IUPAC2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H]1CCOC(CC(=O)N2CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10-4-7-15-11(8-10)9-12(14)13-5-2-3-6-13/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyFBKYBSKWCPBIBG-NFJWQWPMSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds2

About 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone

2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 137411548) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID137411548
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H]1CCOC(CC(=O)N2CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10-4-7-15-11(8-10)9-12(14)13-5-2-3-6-13/h10-11H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyFBKYBSKWCPBIBG-NFJWQWPMSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone (CID 137411548) is 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone is C[C@@H]1CCOC(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is FBKYBSKWCPBIBG-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-4-7-15-11(8-10)9-12(14)13-5-2-3-6-13/h10-11H,2-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone?
2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 211.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 137411548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).