(5R)-5-methyl-5-propyl-1H-pyrrol-2-one

C8H13NO — CID 11629620

IUPAC(5R)-5-methyl-5-propyl-1H-pyrrol-2-one
SMILESCCC[C@]1(C)C=CC(=O)N1
InChIInChI=1S/C8H13NO/c1-3-5-8(2)6-4-7(10)9-8/h4,6H,3,5H2,1-2H3,(H,9,10)/t8-/m1/s1
InChIKeyIGSOEEAUFOQXDV-MRVPVSSYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds2

About (5R)-5-methyl-5-propyl-1H-pyrrol-2-one

(5R)-5-methyl-5-propyl-1H-pyrrol-2-one (PubChem CID 11629620) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5R)-5-methyl-5-propyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-5-propyl-1H-pyrrol-2-one
PubChem CID11629620
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5R)-5-methyl-5-propyl-1H-pyrrol-2-one
SMILESCCC[C@]1(C)C=CC(=O)N1
InChIInChI=1S/C8H13NO/c1-3-5-8(2)6-4-7(10)9-8/h4,6H,3,5H2,1-2H3,(H,9,10)/t8-/m1/s1
InChIKeyIGSOEEAUFOQXDV-MRVPVSSYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-propyl-1H-pyrrol-2-one?
The IUPAC name of (5R)-5-methyl-5-propyl-1H-pyrrol-2-one (CID 11629620) is (5R)-5-methyl-5-propyl-1H-pyrrol-2-one.
What is the SMILES notation for (5R)-5-methyl-5-propyl-1H-pyrrol-2-one?
The canonical SMILES for (5R)-5-methyl-5-propyl-1H-pyrrol-2-one is CCC[C@]1(C)C=CC(=O)N1.
What is the InChIKey of (5R)-5-methyl-5-propyl-1H-pyrrol-2-one?
The InChIKey is IGSOEEAUFOQXDV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(2)6-4-7(10)9-8/h4,6H,3,5H2,1-2H3,(H,9,10)/t8-/m1/s1.
What are the key properties of (5R)-5-methyl-5-propyl-1H-pyrrol-2-one?
(5R)-5-methyl-5-propyl-1H-pyrrol-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-propyl-1H-pyrrol-2-one is sourced from PubChem (CID 11629620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).