3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one

C12H24N2O2 — CID 82943080

IUPAC3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
SMILESCCCOCCCN1CCC(NCC)C1=O
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-5-7-14-8-6-11(12(14)15)13-4-2/h11,13H,3-10H2,1-2H3
InChIKeyCRCFAQUYXNLXCI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds8

About 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one

3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one (PubChem CID 82943080) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
PubChem CID82943080
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
SMILESCCCOCCCN1CCC(NCC)C1=O
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-5-7-14-8-6-11(12(14)15)13-4-2/h11,13H,3-10H2,1-2H3
InChIKeyCRCFAQUYXNLXCI-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one (CID 82943080) is 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one is CCCOCCCN1CCC(NCC)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one?
The InChIKey is CRCFAQUYXNLXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-16-10-5-7-14-8-6-11(12(14)15)13-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one?
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 82943080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).