(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one

C9H17NO2 — CID 10844902

IUPAC(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one
SMILESCC(C)OCN1C(=O)CC[C@H]1C
InChIInChI=1S/C9H17NO2/c1-7(2)12-6-10-8(3)4-5-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPOYVAPJDNKPTGG-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds3

About (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one

(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one (PubChem CID 10844902) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one
PubChem CID10844902
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one
SMILESCC(C)OCN1C(=O)CC[C@H]1C
InChIInChI=1S/C9H17NO2/c1-7(2)12-6-10-8(3)4-5-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPOYVAPJDNKPTGG-MRVPVSSYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one (CID 10844902) is (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one is CC(C)OCN1C(=O)CC[C@H]1C.
What is the InChIKey of (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one?
The InChIKey is POYVAPJDNKPTGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-6-10-8(3)4-5-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one?
(5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(propan-2-yloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10844902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).