(5R)-5-propan-2-ylpyrrolidin-3-one

C7H13NO — CID 11480449

IUPAC(5R)-5-propan-2-ylpyrrolidin-3-one
SMILESCC(C)[C@H]1CC(=O)CN1
InChIInChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h5,7-8H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyZYGOGDDAZGUOGQ-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds1

About (5R)-5-propan-2-ylpyrrolidin-3-one

(5R)-5-propan-2-ylpyrrolidin-3-one (PubChem CID 11480449) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5R)-5-propan-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name(5R)-5-propan-2-ylpyrrolidin-3-one
PubChem CID11480449
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5R)-5-propan-2-ylpyrrolidin-3-one
SMILESCC(C)[C@H]1CC(=O)CN1
InChIInChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h5,7-8H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyZYGOGDDAZGUOGQ-SSDOTTSWSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-ylpyrrolidin-3-one?
The IUPAC name of (5R)-5-propan-2-ylpyrrolidin-3-one (CID 11480449) is (5R)-5-propan-2-ylpyrrolidin-3-one.
What is the SMILES notation for (5R)-5-propan-2-ylpyrrolidin-3-one?
The canonical SMILES for (5R)-5-propan-2-ylpyrrolidin-3-one is CC(C)[C@H]1CC(=O)CN1.
What is the InChIKey of (5R)-5-propan-2-ylpyrrolidin-3-one?
The InChIKey is ZYGOGDDAZGUOGQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h5,7-8H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-5-propan-2-ylpyrrolidin-3-one?
(5R)-5-propan-2-ylpyrrolidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-ylpyrrolidin-3-one is sourced from PubChem (CID 11480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).