(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one

C10H19NO2 — CID 10375159

IUPAC(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESCC[C@@H](C)OCN1C(=O)CC[C@H]1C
InChIInChI=1S/C10H19NO2/c1-4-9(3)13-7-11-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyFTNZWTLFEBIOID-RKDXNWHRSA-N
MW185.27 g/mol
LogP1.77
Rot. Bonds4

About (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one

(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one (PubChem CID 10375159) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one
PubChem CID10375159
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one
SMILESCC[C@@H](C)OCN1C(=O)CC[C@H]1C
InChIInChI=1S/C10H19NO2/c1-4-9(3)13-7-11-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyFTNZWTLFEBIOID-RKDXNWHRSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one (CID 10375159) is (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one is CC[C@@H](C)OCN1C(=O)CC[C@H]1C.
What is the InChIKey of (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one?
The InChIKey is FTNZWTLFEBIOID-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(3)13-7-11-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one?
(5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[[(2R)-butan-2-yl]oxymethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 10375159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).