(5S)-5-propan-2-ylpyrrolidin-2-one

C7H13NO — CID 13082303

IUPAC(5S)-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyIASLVFGXHJQWAB-LURJTMIESA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds1

About (5S)-5-propan-2-ylpyrrolidin-2-one

(5S)-5-propan-2-ylpyrrolidin-2-one (PubChem CID 13082303) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5S)-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-propan-2-ylpyrrolidin-2-one
PubChem CID13082303
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5S)-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyIASLVFGXHJQWAB-LURJTMIESA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-5-propan-2-ylpyrrolidin-2-one (CID 13082303) is (5S)-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is IASLVFGXHJQWAB-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (5S)-5-propan-2-ylpyrrolidin-2-one?
(5S)-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 13082303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).