3-(propoxymethyl)pyrrolidin-2-one

C8H15NO2 — CID 18442692

IUPAC3-(propoxymethyl)pyrrolidin-2-one
SMILESCCCOCC1CCNC1=O
InChIInChI=1S/C8H15NO2/c1-2-5-11-6-7-3-4-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQCPZVKAZUXWWNI-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds4

About 3-(propoxymethyl)pyrrolidin-2-one

3-(propoxymethyl)pyrrolidin-2-one (PubChem CID 18442692) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(propoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(propoxymethyl)pyrrolidin-2-one
PubChem CID18442692
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(propoxymethyl)pyrrolidin-2-one
SMILESCCCOCC1CCNC1=O
InChIInChI=1S/C8H15NO2/c1-2-5-11-6-7-3-4-9-8(7)10/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQCPZVKAZUXWWNI-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-(propoxymethyl)pyrrolidin-2-one (CID 18442692) is 3-(propoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(propoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(propoxymethyl)pyrrolidin-2-one is CCCOCC1CCNC1=O.
What is the InChIKey of 3-(propoxymethyl)pyrrolidin-2-one?
The InChIKey is QCPZVKAZUXWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-5-11-6-7-3-4-9-8(7)10/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-(propoxymethyl)pyrrolidin-2-one?
3-(propoxymethyl)pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 18442692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).