5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one

C9H17NO3 — CID 20713605

IUPAC5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one
SMILESCOOCCCC1(C)CCC(=O)N1
InChIInChI=1S/C9H17NO3/c1-9(5-3-7-13-12-2)6-4-8(11)10-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyDUIXRZYKCMMXNH-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.01
Rot. Bonds5

About 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one

5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one (PubChem CID 20713605) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one
PubChem CID20713605
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one
SMILESCOOCCCC1(C)CCC(=O)N1
InChIInChI=1S/C9H17NO3/c1-9(5-3-7-13-12-2)6-4-8(11)10-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyDUIXRZYKCMMXNH-UHFFFAOYSA-N
XLogP1.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one (CID 20713605) is 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one is COOCCCC1(C)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one?
The InChIKey is DUIXRZYKCMMXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(5-3-7-13-12-2)6-4-8(11)10-9/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one?
5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 20713605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).